Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | GCK | P35557 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8946111 | 0.91 | CYP3A4 (0.39) | CYP3A4SMN1; SMN2HTTTSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL8946071 | 0.90 | CYP3A4 (0.38) | CYP3A4SMN1; SMN2HTTTSHRALDH1A1 | |
| SCHEMBL8945809 | 0.87 | TDP1 (0.33) | CYP3A4SMN1; SMN2ALDH1A1ALOX15TDP1 | |
| SCHEMBL8946130 | 0.85 | SLC6A2 (0.32) | ALOX5 | |
| SCHEMBL8946019 | 0.85 | MEN1 (0.32) | ALDH1A1ALOX5 | |
| SCHEMBL9425401 | 0.85 | MAPT (0.30) | ALOX5 | |
| SCHEMBL8946017 | 0.84 | ALOX5 (0.33) | CYP3A4ALDH1A1TDP1ALOX5 | |
| SCHEMBL8946128 | 0.82 | HTR2A (0.35) | CYP3A4ALDH1A1 | |
| SCHEMBL8946076 | 0.82 | TDP1 (0.35) | CYP3A4SMN1; SMN2ALDH1A1ALOX15TDP1 | |
| Hydrochloric Acid SCHEMBL8946060 | 0.81 | HTR2A (0.32) | ALDH1A1 |
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 |