Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11319209 | 0.80 | CXCR4 (0.41) | TSHRKCNA5KCNH2CXCR4SLC6A2 | |
| SCHEMBL8946109 | 0.78 | YTHDC1 (0.32) | KCNH2 | |
| SCHEMBL9322413 | 0.78 | KDM4E (0.51) | TSHRKCNA5KCNH2SLC6A2SLC6A4 | |
| SCHEMBL8945848 | 0.77 | CYP3A4 (0.42) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4 | |
| SCHEMBL8946074 | 0.77 | AR (0.34) | — | |
| SCHEMBL9001661 | 0.76 | ALDH1A1 (0.42) | CHRM2ALDH1A1 | |
| SCHEMBL9425100 | 0.75 | MMP1 (0.37) | — | |
| SCHEMBL8945778 | 0.75 | SLC6A2 (0.37) | SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL8946015 | 0.75 | KDM4E (0.42) | TSHRSLC6A3ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL2323123 | 0.75 | KCNA5 (0.47) | TSHRKCNA5KCNH2SLC6A2SLC6A4 |
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 |