Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[24023812] |
||
NPO18176 | Ephedra sinica | Species | Ephedraceae | Eukaryota | HerDing* | |||
NPO21727 | Osmanthus fragrans | Species | Oleaceae | Eukaryota | TCM_Taiwan* | |||
NPO31050 | Isatis indigotica | Species | Brassicaceae | Eukaryota | HerDing* | |||
NPO298 | Isatdis radix | NA | NA | NA | TCMSP* | |||
NPO914 | Smilacis glabrae rhixoma | NA | NA | NA | TCMSP* | |||
NPO10000 | Rehmanniae radix praeparata | NA | NA | NA | TCMSP* | |||
NPO17237 | Ephedra herba | Species | Ephedraceae | Eukaryota | TCMSP* | |||
NPO9445 | Crocus sativus | Species | Iridaceae | Eukaryota | TM-MC* | |||
NPO4554 | Isatis tinctoria | Species | Brassicaceae | Eukaryota | TCMID* | |||
NPO21727 | Osmanthus fragrans | Species | Oleaceae | Eukaryota | TCMID* | |||
NPO18176 | Ephedra sinica | Species | Ephedraceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 19496.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 48978.2 | nM | PubChem BioAssay data set | ||
NPT162 | Individual Protein | Heat shock protein beta-1 | Homo sapiens | Potency | 54947.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 61130.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 54947.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 9771.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 8634.9 | nM | PubChem BioAssay data set |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC116906 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.88 | High Similarity | NPC22182 |
0.8519 | High Similarity | NPC27610 |
0.8519 | High Similarity | NPC56905 |
0.8462 | Intermediate Similarity | NPC250539 |
0.8333 | Intermediate Similarity | NPC192427 |
0.8235 | Intermediate Similarity | NPC236623 |
0.8214 | Intermediate Similarity | NPC127582 |
0.807 | Intermediate Similarity | NPC213152 |
0.8 | Intermediate Similarity | NPC115385 |
0.7931 | Intermediate Similarity | NPC197238 |
0.7931 | Intermediate Similarity | NPC288253 |
0.7931 | Intermediate Similarity | NPC202118 |
0.7885 | Intermediate Similarity | NPC64866 |
0.78 | Intermediate Similarity | NPC4079 |
0.78 | Intermediate Similarity | NPC14917 |
0.78 | Intermediate Similarity | NPC236355 |
0.7797 | Intermediate Similarity | NPC212210 |
0.7797 | Intermediate Similarity | NPC6697 |
0.7797 | Intermediate Similarity | NPC475124 |
0.7797 | Intermediate Similarity | NPC285371 |
0.7797 | Intermediate Similarity | NPC469662 |
0.7759 | Intermediate Similarity | NPC60565 |
0.7719 | Intermediate Similarity | NPC472304 |
0.7719 | Intermediate Similarity | NPC276764 |
0.7692 | Intermediate Similarity | NPC228776 |
0.7692 | Intermediate Similarity | NPC32351 |
0.7679 | Intermediate Similarity | NPC49575 |
0.7679 | Intermediate Similarity | NPC267626 |
0.7679 | Intermediate Similarity | NPC230823 |
0.7679 | Intermediate Similarity | NPC55004 |
0.7647 | Intermediate Similarity | NPC91962 |
0.7636 | Intermediate Similarity | NPC200258 |
0.7627 | Intermediate Similarity | NPC165695 |
0.7627 | Intermediate Similarity | NPC32285 |
0.7627 | Intermediate Similarity | NPC472306 |
0.7593 | Intermediate Similarity | NPC474141 |
0.7593 | Intermediate Similarity | NPC69898 |
0.7593 | Intermediate Similarity | NPC268564 |
0.7593 | Intermediate Similarity | NPC295777 |
0.7547 | Intermediate Similarity | NPC27438 |
0.7544 | Intermediate Similarity | NPC311852 |
0.7544 | Intermediate Similarity | NPC308108 |
0.7544 | Intermediate Similarity | NPC170799 |
0.7544 | Intermediate Similarity | NPC94991 |
0.7544 | Intermediate Similarity | NPC266295 |
0.7544 | Intermediate Similarity | NPC30215 |
0.75 | Intermediate Similarity | NPC4638 |
0.7455 | Intermediate Similarity | NPC202850 |
0.7455 | Intermediate Similarity | NPC63396 |
0.7419 | Intermediate Similarity | NPC20181 |
0.7419 | Intermediate Similarity | NPC475523 |
0.7419 | Intermediate Similarity | NPC220210 |
0.7414 | Intermediate Similarity | NPC259261 |
0.7414 | Intermediate Similarity | NPC96551 |
0.7414 | Intermediate Similarity | NPC285594 |
0.7377 | Intermediate Similarity | NPC251118 |
0.7321 | Intermediate Similarity | NPC275472 |
0.7302 | Intermediate Similarity | NPC155198 |
0.7302 | Intermediate Similarity | NPC188292 |
0.7302 | Intermediate Similarity | NPC260474 |
0.7302 | Intermediate Similarity | NPC39157 |
0.7302 | Intermediate Similarity | NPC310992 |
0.7302 | Intermediate Similarity | NPC82477 |
0.7302 | Intermediate Similarity | NPC20610 |
0.7302 | Intermediate Similarity | NPC142754 |
0.7302 | Intermediate Similarity | NPC296697 |
0.7302 | Intermediate Similarity | NPC87141 |
0.7288 | Intermediate Similarity | NPC25853 |
0.7273 | Intermediate Similarity | NPC23117 |
0.7273 | Intermediate Similarity | NPC37644 |
0.7273 | Intermediate Similarity | NPC296311 |
0.7258 | Intermediate Similarity | NPC323005 |
0.7193 | Intermediate Similarity | NPC473733 |
0.7193 | Intermediate Similarity | NPC20603 |
0.7188 | Intermediate Similarity | NPC256846 |
0.7188 | Intermediate Similarity | NPC182815 |
0.7188 | Intermediate Similarity | NPC139397 |
0.7188 | Intermediate Similarity | NPC286814 |
0.7167 | Intermediate Similarity | NPC97322 |
0.7167 | Intermediate Similarity | NPC475795 |
0.7097 | Intermediate Similarity | NPC470329 |
0.7083 | Intermediate Similarity | NPC141634 |
0.7077 | Intermediate Similarity | NPC151045 |
0.7077 | Intermediate Similarity | NPC35734 |
0.7077 | Intermediate Similarity | NPC2634 |
0.7077 | Intermediate Similarity | NPC260040 |
0.7077 | Intermediate Similarity | NPC307176 |
0.7077 | Intermediate Similarity | NPC282593 |
0.7077 | Intermediate Similarity | NPC159577 |
0.7077 | Intermediate Similarity | NPC265782 |
0.7077 | Intermediate Similarity | NPC173321 |
0.7077 | Intermediate Similarity | NPC251929 |
0.7077 | Intermediate Similarity | NPC246722 |
0.7069 | Intermediate Similarity | NPC193695 |
0.7059 | Intermediate Similarity | NPC25771 |
0.7049 | Intermediate Similarity | NPC167256 |
0.7037 | Intermediate Similarity | NPC176819 |
0.7037 | Intermediate Similarity | NPC163984 |
0.7037 | Intermediate Similarity | NPC58970 |
0.7 | Intermediate Similarity | NPC270042 |
0.697 | Remote Similarity | NPC223187 |
0.697 | Remote Similarity | NPC84790 |
0.697 | Remote Similarity | NPC5701 |
0.697 | Remote Similarity | NPC54123 |
0.697 | Remote Similarity | NPC181204 |
0.697 | Remote Similarity | NPC474562 |
0.697 | Remote Similarity | NPC115023 |
0.697 | Remote Similarity | NPC190035 |
0.697 | Remote Similarity | NPC470078 |
0.6964 | Remote Similarity | NPC14002 |
0.6935 | Remote Similarity | NPC473902 |
0.6935 | Remote Similarity | NPC150162 |
0.6875 | Remote Similarity | NPC290350 |
0.6875 | Remote Similarity | NPC4370 |
0.6875 | Remote Similarity | NPC193770 |
0.6866 | Remote Similarity | NPC470045 |
0.6866 | Remote Similarity | NPC474488 |
0.6866 | Remote Similarity | NPC109576 |
0.6866 | Remote Similarity | NPC130016 |
0.6866 | Remote Similarity | NPC247586 |
0.6866 | Remote Similarity | NPC470044 |
0.6866 | Remote Similarity | NPC56747 |
0.6866 | Remote Similarity | NPC180015 |
0.6866 | Remote Similarity | NPC474228 |
0.6866 | Remote Similarity | NPC303613 |
0.6866 | Remote Similarity | NPC251705 |
0.6863 | Remote Similarity | NPC171783 |
0.6863 | Remote Similarity | NPC292463 |
0.6852 | Remote Similarity | NPC145311 |
0.6842 | Remote Similarity | NPC5626 |
0.6833 | Remote Similarity | NPC143834 |
0.6825 | Remote Similarity | NPC61473 |
0.6825 | Remote Similarity | NPC268039 |
0.6818 | Remote Similarity | NPC214770 |
0.6818 | Remote Similarity | NPC477856 |
0.6769 | Remote Similarity | NPC45264 |
0.6765 | Remote Similarity | NPC309852 |
0.6765 | Remote Similarity | NPC255021 |
0.6765 | Remote Similarity | NPC470299 |
0.6727 | Remote Similarity | NPC118788 |
0.6716 | Remote Similarity | NPC234707 |
0.6716 | Remote Similarity | NPC21944 |
0.6716 | Remote Similarity | NPC225467 |
0.6716 | Remote Similarity | NPC133253 |
0.6716 | Remote Similarity | NPC305501 |
0.6716 | Remote Similarity | NPC144627 |
0.6667 | Remote Similarity | NPC114236 |
0.6667 | Remote Similarity | NPC65650 |
0.6667 | Remote Similarity | NPC476346 |
0.6667 | Remote Similarity | NPC473171 |
0.6667 | Remote Similarity | NPC293803 |
0.6667 | Remote Similarity | NPC60772 |
0.6667 | Remote Similarity | NPC45283 |
0.6618 | Remote Similarity | NPC261316 |
0.6618 | Remote Similarity | NPC49737 |
0.6615 | Remote Similarity | NPC96962 |
0.66 | Remote Similarity | NPC59570 |
0.66 | Remote Similarity | NPC135077 |
0.66 | Remote Similarity | NPC215118 |
0.66 | Remote Similarity | NPC45270 |
0.6571 | Remote Similarity | NPC92080 |
0.6571 | Remote Similarity | NPC263582 |
0.6571 | Remote Similarity | NPC180886 |
0.6571 | Remote Similarity | NPC27205 |
0.6571 | Remote Similarity | NPC470525 |
0.6571 | Remote Similarity | NPC1254 |
0.6571 | Remote Similarity | NPC69408 |
0.6567 | Remote Similarity | NPC40574 |
0.6552 | Remote Similarity | NPC100809 |
0.6552 | Remote Similarity | NPC209431 |
0.6538 | Remote Similarity | NPC192529 |
0.6531 | Remote Similarity | NPC223315 |
0.6522 | Remote Similarity | NPC474797 |
0.6522 | Remote Similarity | NPC474796 |
0.6522 | Remote Similarity | NPC20025 |
0.6522 | Remote Similarity | NPC329866 |
0.65 | Remote Similarity | NPC22019 |
0.65 | Remote Similarity | NPC208749 |
0.65 | Remote Similarity | NPC321568 |
0.65 | Remote Similarity | NPC281986 |
0.6491 | Remote Similarity | NPC471751 |
0.6481 | Remote Similarity | NPC22098 |
0.6481 | Remote Similarity | NPC195246 |
0.6481 | Remote Similarity | NPC262558 |
0.6481 | Remote Similarity | NPC100380 |
0.6481 | Remote Similarity | NPC276009 |
0.6481 | Remote Similarity | NPC8610 |
0.6479 | Remote Similarity | NPC97377 |
0.6479 | Remote Similarity | NPC165711 |
0.6479 | Remote Similarity | NPC266193 |
0.6479 | Remote Similarity | NPC197659 |
0.6479 | Remote Similarity | NPC74995 |
0.6479 | Remote Similarity | NPC325946 |
0.6479 | Remote Similarity | NPC257666 |
0.6479 | Remote Similarity | NPC472300 |
0.6471 | Remote Similarity | NPC304983 |
0.6471 | Remote Similarity | NPC160817 |
0.6462 | Remote Similarity | NPC189917 |
0.6462 | Remote Similarity | NPC43300 |
0.6462 | Remote Similarity | NPC168824 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC116906 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.7544 | Intermediate Similarity | NPD287 | Approved |
0.7302 | Intermediate Similarity | NPD3621 | Clinical (unspecified phase) |
0.7188 | Intermediate Similarity | NPD4137 | Phase 3 |
0.7077 | Intermediate Similarity | NPD4747 | Approved |
0.7077 | Intermediate Similarity | NPD4691 | Approved |
0.697 | Remote Similarity | NPD5276 | Approved |
0.6825 | Remote Similarity | NPD7341 | Phase 2 |
0.6765 | Remote Similarity | NPD4687 | Approved |
0.6765 | Remote Similarity | NPD5733 | Approved |
0.6765 | Remote Similarity | NPD4058 | Approved |
0.6724 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.6719 | Remote Similarity | NPD7331 | Phase 2 |
0.6389 | Remote Similarity | NPD3617 | Approved |
0.6216 | Remote Similarity | NPD4695 | Discontinued |
0.6197 | Remote Similarity | NPD8039 | Approved |
0.6182 | Remote Similarity | NPD343 | Approved |
0.6182 | Remote Similarity | NPD345 | Approved |
0.6182 | Remote Similarity | NPD344 | Approved |
0.6133 | Remote Similarity | NPD8028 | Phase 2 |
0.6133 | Remote Similarity | NPD4692 | Approved |
0.6133 | Remote Similarity | NPD4139 | Approved |
0.6094 | Remote Similarity | NPD4193 | Approved |
0.6094 | Remote Similarity | NPD4192 | Approved |
0.6094 | Remote Similarity | NPD4191 | Approved |
0.6094 | Remote Similarity | NPD4194 | Approved |
0.6078 | Remote Similarity | NPD5783 | Phase 3 |
0.6066 | Remote Similarity | NPD4219 | Approved |
0.6053 | Remote Similarity | NPD4223 | Phase 3 |
0.6053 | Remote Similarity | NPD3667 | Approved |
0.6053 | Remote Similarity | NPD4221 | Approved |
0.6 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.5974 | Remote Similarity | NPD3527 | Clinical (unspecified phase) |
0.5965 | Remote Similarity | NPD8262 | Approved |
0.5909 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5897 | Remote Similarity | NPD4786 | Approved |
0.5897 | Remote Similarity | NPD4197 | Approved |
0.5897 | Remote Similarity | NPD3133 | Approved |
0.5897 | Remote Similarity | NPD3665 | Phase 1 |
0.5897 | Remote Similarity | NPD3668 | Phase 3 |
0.5897 | Remote Similarity | NPD3666 | Approved |
0.5823 | Remote Similarity | NPD5329 | Approved |
0.575 | Remote Similarity | NPD4519 | Discontinued |
0.575 | Remote Similarity | NPD5690 | Phase 2 |
0.575 | Remote Similarity | NPD6684 | Approved |
0.575 | Remote Similarity | NPD6098 | Approved |
0.575 | Remote Similarity | NPD4689 | Approved |
0.575 | Remote Similarity | NPD7521 | Approved |
0.575 | Remote Similarity | NPD3618 | Phase 1 |
0.575 | Remote Similarity | NPD4693 | Phase 3 |
0.575 | Remote Similarity | NPD6409 | Approved |
0.575 | Remote Similarity | NPD7146 | Approved |
0.575 | Remote Similarity | NPD4623 | Approved |
0.575 | Remote Similarity | NPD4690 | Approved |
0.575 | Remote Similarity | NPD4138 | Approved |
0.575 | Remote Similarity | NPD5330 | Approved |
0.575 | Remote Similarity | NPD5279 | Phase 3 |
0.575 | Remote Similarity | NPD4694 | Approved |
0.575 | Remote Similarity | NPD5205 | Approved |
0.575 | Remote Similarity | NPD5280 | Approved |
0.575 | Remote Similarity | NPD4688 | Approved |
0.575 | Remote Similarity | NPD7334 | Approved |
0.575 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.5741 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.5735 | Remote Similarity | NPD6108 | Clinical (unspecified phase) |
0.5735 | Remote Similarity | NPD3704 | Approved |
0.5686 | Remote Similarity | NPD319 | Phase 1 |
0.5679 | Remote Similarity | NPD3573 | Approved |
0.5625 | Remote Similarity | NPD1694 | Approved |
0.561 | Remote Similarity | NPD5208 | Approved |
0.561 | Remote Similarity | NPD5737 | Approved |
0.561 | Remote Similarity | NPD6903 | Approved |
0.561 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.561 | Remote Similarity | NPD6672 | Approved |
0.561 | Remote Similarity | NPD4518 | Approved |
PubChem CID   | 519382 |
ChEMBL   | CHEMBL3188345 |
ZINC   |
Molecular Weight:   | 194.17 |
ALogP:   | 1.3129 |
MLogP:   | 2.78 |
XLogP:   | 3.362 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 14 |