Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945855 | 0.79 | HDAC1 (0.35) | SLC6A3 | |
| SCHEMBL9001661 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL8945903 | 0.78 | LTA4H (0.36) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8946115 | 0.77 | SLC6A2 (0.31) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10565227 | 0.77 | GAA (0.38) | SLC6A4 | |
| Hydrochloric Acid SCHEMBL9001659 | 0.76 | ALDH1A1 (0.41) | MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9582763 | 0.76 | ALDH1A1 (0.41) | MEN1KMT2A | |
| SCHEMBL8945917 | 0.76 | NOS1 (0.34) | SLC6A3KMT2A | |
| Hydrochloric Acid SCHEMBL9582349 | 0.76 | TDP1 (0.37) | CYP3A4 | |
| Hydrochloric Acid SCHEMBL8945808 | 0.75 | LTA4H (0.37) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 |
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 |