Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL8946080 | 0.90 | MEN1 (0.32) | MEN1NPC1GAARAB9AKMT2A | |
| SCHEMBL8945809 | 0.87 | TDP1 (0.33) | ALDH1A1ALOX5 | |
| SCHEMBL8946130 | 0.85 | SLC6A2 (0.32) | ALOX5 | |
| SCHEMBL9425401 | 0.85 | MAPT (0.30) | ALOX5 | |
| SCHEMBL8945970 | 0.85 | CYP3A4 (0.35) | ALDH1A1ALOX5 | |
| Hydrochloric Acid SCHEMBL8946060 | 0.83 | HTR2A (0.32) | MEN1GAAKMT2AALDH1A1L3MBTL1 | |
| SCHEMBL8946128 | 0.82 | HTR2A (0.35) | ALDH1A1 | |
| SCHEMBL8946017 | 0.81 | ALOX5 (0.33) | KMT2AALDH1A1ALOX5 | |
| SCHEMBL8946076 | 0.79 | TDP1 (0.35) | ALDH1A1ALOX5 | |
| SCHEMBL8946111 | 0.78 | CYP3A4 (0.39) | ALDH1A1ALOX5 |
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 |