Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11222621 | 0.93 | TACR1 (0.33) | ALDH1A1MAPK1TACR1 | |
| SCHEMBL11220107 | 0.79 | KCNH2 (0.35) | — | |
| SCHEMBL11225450 | 0.78 | ALDH1A1 (0.32) | ALDH1A1MAPK1 | |
| SCHEMBL11225472 | 0.75 | MAPK1 (0.33) | ALDH1A1MAPK1 | |
| SCHEMBL11220983 | 0.74 | MAPK1 (0.33) | ALDH1A1MAPK1 | |
| SCHEMBL11224294 | 0.73 | CYP3A4 (0.32) | — | |
| SCHEMBL11230718 | 0.73 | AKT1 (0.34) | ALDH1A1MAPK1 | |
| SCHEMBL11221731 | 0.71 | ALOX15 (0.39) | ALDH1A1MAPK1TACR1 | |
| SCHEMBL11226312 | 0.70 | ALDH1A1 (0.32) | ALDH1A1MAPK1TACR1 | |
| SCHEMBL11220849 | 0.68 | KCNH2 (0.35) | — |
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 8 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-4153612-A | 2-Benzoxepins | THE UPJOHN COMPANY (US) | 1979-05-08 | — | — | US | disclosed |