Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 12/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 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 SCHEMBL10571722 | 0.99 | DDB1 (0.43) | DDB1CRBNPDPK1CXCR4CYP2D6 | |
| SCHEMBL9810224 | 0.88 | DDB1 (0.39) | DDB1CRBNCXCR4CYP2D6 | |
| Hydrochloric Acid SCHEMBL10570078 | 0.86 | DDB1 (0.38) | DDB1CRBNCXCR4CYP2D6 | |
| SCHEMBL9810216 | 0.85 | CYP2D6 (0.39) | DDB1CRBNCXCR4CYP2D6 | |
| SCHEMBL9810195 | 0.85 | DDB1 (0.40) | DDB1CRBNCXCR4CYP2D6 | |
| SCHEMBL9810221 | 0.84 | ESR1 (0.38) | PDPK1CXCR4ADORA2A | |
| Hydrochloric Acid SCHEMBL10568508 | 0.84 | TAOK1 (0.38) | DDB1CRBNCXCR4CYP2D6 | |
| Hydrochloric Acid SCHEMBL10569209 | 0.84 | CXCR4 (0.40) | DDB1CRBNCXCR4CYP2D6 | |
| SCHEMBL9770476 | 0.84 | HTR6 (0.40) | DDB1CRBNCXCR4CYP2D6 | |
| Hydrochloric Acid SCHEMBL10571311 | 0.83 | ESR1 (0.37) | PDPK1CXCR4ADORA2A |
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 |