Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TAOK1 | Q7L7X3 | 4/20 | 0.38 |
| ▸ | TAOK3 | Q9H2K8 | 2/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 7/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10568508 | 0.99 | TAOK1 (0.38) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9810224 | 0.91 | DDB1 (0.39) | CYP2D6CXCR4CRBNNPC1MAPT | |
| Hydrochloric Acid SCHEMBL10570078 | 0.89 | DDB1 (0.38) | CYP2D6CXCR4CRBNNPC1MAPT | |
| SCHEMBL9810162 | 0.86 | DDB1 (0.48) | CYP2D6TAOK1TAOK3CXCR4CRBN | |
| SCHEMBL9810223 | 0.85 | DDB1 (0.44) | CYP2D6CXCR4CRBNDDB1 | |
| Hydrochloric Acid SCHEMBL10568328 | 0.85 | DDB1 (0.47) | CYP2D6TAOK1TAOK3CXCR4CRBN | |
| Hydrochloric Acid SCHEMBL10571722 | 0.84 | DDB1 (0.43) | CYP2D6CXCR4CRBNDDB1 | |
| SCHEMBL9810203 | 0.83 | DDB1 (0.44) | CYP2D6CXCR4CRBNDDB1 | |
| Hydrochloric Acid SCHEMBL10574107 | 0.82 | DDB1 (0.43) | CYP2D6CXCR4CRBNDDB1 | |
| SCHEMBL9810195 | 0.81 | DDB1 (0.40) | CYP2D6CXCR4CRBNDDB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0254611-B1 | DERIVATIVES OF 8-PHENYLTHIOTETRAHYDROQUINOLINES AND THEIR SALTS, THEIR SYNTHESIS FOR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1991-06-12 | — | — | EP | disclosed |
| EP-0254611-A1 | Derivatives of 8-phenylthiotetrahydroquinolines and their salts, their synthesis for use as medicaments and compositions containing them | ROUSSEL-UCLAF (FR) | 1988-01-27 | — | — | EP | disclosed |