Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 6/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 2/20 | 0.40 |
| ▸ | GOPC | Q9HD26 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945848 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9001661 | 0.83 | ALDH1A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL9582763 | 0.82 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL9001659 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL8866135 | 0.79 | CYP1A2 (0.63) | KCNA5KCNH2SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL8946129 | 0.76 | AKT2 (0.37) | — | |
| SCHEMBL10565227 | 0.76 | GAA (0.38) | SMN1; SMN2LMNASLC6A4KDM4E | |
| SCHEMBL9046110 | 0.75 | CFTR (0.46) | KCNA5SMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL9582349 | 0.75 | TDP1 (0.37) | SMN1; SMN2CYP3A4LMNAKDM4E | |
| SCHEMBL9583350 | 0.75 | ALDH1A1 (0.37) | KCNH2SMN1; SMN2CYP3A4CYP2D6SLC6A2 |
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 |