Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | PPARD | Q03181 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | STAT3 | P40763 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL74008 | 0.84 | CA2 (0.63) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL5114730 | 0.82 | CA2 (0.61) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL11220959 | 0.81 | CA2 (0.55) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL11258047 | 0.81 | CA2 (0.59) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL10730478 | 0.81 | CA2 (0.59) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL5114907 | 0.81 | CA2 (0.59) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL11329627 | 0.79 | CA2 (0.57) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL13509578 | 0.79 | CA2 (0.57) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL13144840 | 0.79 | CA2 (0.57) | CA2CYP19A1ATMKDM4EALDH1A1 | |
| SCHEMBL29944152 | 0.79 | CA2 (0.57) | CA2CYP19A1ATMKDM4EALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4352805-A | BENZOXEPINE DERIVATIVES | THE UPJOHN COMPANY (US) | 1982-10-05 | — | — | US | disclosed |
| US-4312868-A | HYPOTENSIVE, ANTIPSYCHOTIC | THE UPJOHN COMPANY (US) | 1982-01-26 | — | — | US | disclosed |
| US-4251526-A | HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC | PHARMACIA & UPJOHN COMPANY | 1981-02-17 | — | — | US | disclosed |
| US-4250175-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | PHARMACIA & UPJOHN COMPANY | 1981-02-10 | — | — | US | disclosed |
| US-4250181-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-02-10 | — | — | US | disclosed |
| US-4247553-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-01-27 | — | — | US | disclosed |
| US-4179510-A | ISOCHROMANS AND 2-BENZOXEPINS | THE UPJOHN COMPANY (US) | 1979-12-18 | — | — | US | disclosed |
| US-4166062-A | HYPOTENSIVE AGENTS, CNS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1979-08-28 | — | — | US | disclosed |
| US-4153612-A | 2-Benzoxepins | THE UPJOHN COMPANY (US) | 1979-05-08 | — | — | US | disclosed |