Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.43 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.43 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11220460 | 0.96 | KCNN2 (0.44) | KCNN2KCNN3KCNN1ALDH1A1TAAR1 | |
| SCHEMBL11226482 | 0.92 | KCNN2 (0.41) | KCNN2KCNN3KCNN1HTR1ADRD2 | |
| SCHEMBL9688216 | 0.90 | KCNN2 (0.43) | KCNN2KCNN3KCNN1ALDH1A1TAAR1 | |
| SCHEMBL11222498 | 0.88 | KCNN2 (0.42) | KCNN2KCNN3KCNN1ALDH1A1HTR1A | |
| SCHEMBL11218630 | 0.85 | KCNN2 (0.42) | KCNN2KCNN3KCNN1ALDH1A1TAAR1 | |
| SCHEMBL7290833 | 0.84 | ALDH1A1 (0.43) | KCNN2KCNN3KCNN1ALDH1A1TAAR1 | |
| SCHEMBL11370362 | 0.82 | KCNN2 (0.41) | KCNN2KCNN3KCNN1ALDH1A1TSHR | |
| SCHEMBL10990476 | 0.82 | KCNN2 (0.41) | KCNN2KCNN3KCNN1ALDH1A1TSHR | |
| SCHEMBL7376032 | 0.81 | NQO2 (0.43) | KCNN2KCNN3KCNN1ALDH1A1TAAR1 | |
| SCHEMBL11224064 | 0.80 | HTR2C (0.45) | ALDH1A1TAAR1 |
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-4250181-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-02-10 | — | — | US | disclosed |
| US-4250175-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | PHARMACIA & UPJOHN COMPANY | 1981-02-10 | — | — | US | disclosed |
| US-4247553-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-01-27 | — | — | US | disclosed |
| US-4181665-A | INTERMEDIATES FOR AMINO DERIVATIVES POSSESSING HYPOTENSIVE AND CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1980-01-01 | — | — | 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 |