Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 13/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770476 | 0.87 | HTR6 (0.40) | CXCR4HTR6HDAC1HDAC6CYP2D6 | |
| SCHEMBL9810226 | 0.86 | DDB1 (0.40) | CXCR4HTR6HDAC1HDAC6CYP2D6 | |
| SCHEMBL9810217 | 0.86 | HTR6 (0.54) | CXCR4HTR6HDAC1HDAC6CYP2D6 | |
| SCHEMBL9810195 | 0.86 | DDB1 (0.40) | CXCR4HTR6CYP2D6 | |
| Hydrochloric Acid SCHEMBL9770615 | 0.86 | HTR6 (0.39) | CXCR4HTR6HDAC1HDAC6CYP2D6 | |
| Hydrochloric Acid SCHEMBL10568128 | 0.85 | DDB1 (0.40) | CXCR4HTR6HDAC1HDAC6CYP2D6 | |
| Hydrochloric Acid SCHEMBL10569209 | 0.85 | CXCR4 (0.40) | CXCR4HTR6CYP2D6 | |
| SCHEMBL10574015 | 0.84 | DDB1 (0.46) | CXCR4HTR6HDAC1HDAC6 | |
| SCHEMBL9810223 | 0.83 | DDB1 (0.44) | CXCR4CYP2D6 | |
| SCHEMBL9810203 | 0.83 | DDB1 (0.44) | CXCR4HDAC1HDAC6CYP2D6 |
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 3 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 |
| US-4847268-A | 8-phenylthio-tetrahydroquinolines and anti-allergic use thereof | ROUSSEL UCLAF (FR) | 1989-07-11 | — | — | US | 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 |