Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR1 | P25024 | 1/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL8946039 | 0.86 | CXCR1 (0.32) | CXCR1CXCR2KMT2AADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL8945763 | 0.84 | CXCR1 (0.32) | CXCR1CXCR2KMT2AADRA1DADRA1A | |
| SCHEMBL9425146 | 0.82 | CXCR1 (0.34) | CXCR1CXCR2KMT2AADRA1DADRA1A | |
| SCHEMBL8945876 | 0.81 | ALOX5 (0.35) | KMT2AALOX5 | |
| SCHEMBL8946066 | 0.81 | ALOX5 (0.33) | KMT2AALOX5 | |
| Hydrochloric Acid SCHEMBL8945991 | 0.80 | MAPK8 (0.33) | KMT2AADRA1DALOX5ALDH1A1MAPT | |
| SCHEMBL9425099 | 0.75 | ALOX5 (0.33) | CXCR1CXCR2KMT2AALOX5 | |
| SCHEMBL8946095 | 0.69 | ALDH1A1 (0.43) | CXCR1CXCR2KMT2AALDH1A1MAPT | |
| SCHEMBL8945888 | 0.68 | KRAS (0.33) | ALOX5ALDH1A1 | |
| SCHEMBL8945840 | 0.68 | ALOX5 (0.35) | KMT2AALOX5ALDH1A1MAPT |
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 |