Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | RGS12 | O14924 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL2866367 | 0.82 | DPP4 (0.56) | DPP4SLC6A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL14455234 | 0.82 | DPP4 (0.56) | DPP4SLC6A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL24017126 | 0.80 | CYP3A4 (0.43) | IDO1TDO2ALOX5SLC6A2SLC6A4 | |
| SCHEMBL24017044 | 0.80 | CYP3A4 (0.43) | IDO1TDO2ALOX5SLC6A2SLC6A4 | |
| SCHEMBL8946044 | 0.75 | DPP4 (0.43) | DPP4ALOX5SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL9425803 | 0.72 | CYP3A4 (0.62) | DPP4SLC6A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL23967163 | 0.72 | ALOX5 (0.41) | IDO1TDO2ALOX5SLC6A2SLC6A4 | |
| SCHEMBL10588478 | 0.71 | DPP4 (0.39) | DPP4ALOX5 | |
| SCHEMBL24017145 | 0.69 | IDO1 (0.45) | IDO1TDO2DPP4ALOX5KCNH2 | |
| SCHEMBL24017064 | 0.69 | IDO1 (0.45) | IDO1TDO2DPP4ALOX5KCNH2 |
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 2 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 |
| 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 |