Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT2 | P31751 | 4/20 | 0.37 |
| ▸ | AKT1 | P31749 | 3/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27988532 | 0.80 | AKT1 (0.44) | AKT2AKT1ROCK2 | |
| SCHEMBL9001661 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL10565227 | 0.78 | GAA (0.38) | — | |
| Hydrochloric Acid SCHEMBL9001659 | 0.77 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL9582763 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL9583244 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL9583350 | 0.77 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL9582349 | 0.77 | TDP1 (0.37) | — | |
| SCHEMBL8945848 | 0.77 | CYP3A4 (0.42) | — | |
| Hydrochloric Acid SCHEMBL9582701 | 0.76 | ALDH1A1 (0.43) | — |
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-5510346-A | ANTIDEPRESSANTS, ANTIANXIETY AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-04-23 | — | — | US | disclosed |
| US-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0322582-A2 | 4-Heteroaryl-1,3-Benzodiazepines and 2-substituted-alpha-(heteroaryl)benzeneethanamines, a process for their preparation and their use us medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-07-05 | — | — | EP | disclosed |