Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | HRH1 | P35367 | 3/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28081174 | 0.81 | AOC3 (0.47) | AOC3LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL643461 | 0.79 | CYP2C19 (0.53) | AOC3LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19228532 | 0.79 | CYP2C19 (0.53) | AOC3LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2162293 | 0.78 | AOC3 (0.44) | AOC3LMNACYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL16401889 | 0.78 | CYP2C19 (0.52) | AOC3LMNACYP1A2CYP3A4CYP2D6 | |
| Water SCHEMBL27452260 | 0.78 | CYP2C19 (0.52) | AOC3LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4824003 | 0.78 | AOC3 (0.44) | AOC3LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13385031 | 0.78 | CYP2C19 (0.49) | AOC3LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6728896 | 0.78 | CYP2C19 (0.49) | AOC3LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8079874 | 0.76 | CYP2C19 (0.48) | AOC3LMNACYP1A2CYP3A4CYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992018092-A2 | 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS | G.D. SEARLE & CO. (US) | 1992-10-29 | — | — | WO | claimed |