Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8945983 | 0.99 | CYP2D6 (0.42) | HPGDCYP2D6CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL9425146 | 0.82 | CXCR1 (0.34) | ALDH1A1MAPT | |
| SCHEMBL8946017 | 0.81 | ALOX5 (0.33) | HPGDCYP3A4ALDH1A1 | |
| SCHEMBL8945768 | 0.81 | HSPA5 (0.38) | HPGDCYP2D6CYP3A4SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL8946070 | 0.80 | MAPT (0.39) | HPGDCYP2D6CYP3A4SLC6A2SLC6A4 | |
| SCHEMBL8760252 | 0.77 | TAAR1 (0.44) | CYP2D6CYP2C19SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL9482849 | 0.76 | TAAR1 (0.43) | CYP2D6CYP2C19 | |
| SCHEMBL8761001 | 0.75 | MEN1 (0.41) | HPGDALDH1A1MAPT | |
| SCHEMBL8946175 | 0.74 | MEN1 (0.34) | CYP2D6ALDH1A1GAAMAPT | |
| SCHEMBL8946095 | 0.74 | ALDH1A1 (0.43) | HPGDALDH1A1GAAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | claimed |
| 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 |