Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7446553 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7340202 | 0.84 | GABRA1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL7360584 | 0.83 | GABRA1 (0.46) | — | |
| SCHEMBL7395638 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7342237 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7338360 | 0.81 | GABRA1 (0.53) | — | |
| SCHEMBL7385422 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7438564 | 0.76 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7427138 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7393393 | 0.73 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5885986-A | CLEAVING, N-ALKYLATING AND REDUCING THE INTERMEDIATE FORMED BY REACTING AN OXAZOLYL AND THIAZOLYLIMIDAZOBENZO AND THIENODIAZEPINE DERIVATIVES WITH AMINE COMPOUNDS; USED AS ANXIOLYTIC AND ANTICONVULSANT OR SEDATIVE-HYPNOTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1999-03-23 | — | — | US | disclosed |
| EP-0790999-A1 | OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1997-08-27 | — | — | EP | disclosed |
| WO-1996015129-A1 | OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-23 | — | — | WO | disclosed |