Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 14/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 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 SCHEMBL9770615 | 0.98 | HTR6 (0.39) | HTR6CXCR4DDB1CRBNHDAC1 | |
| SCHEMBL9810209 | 0.87 | CXCR4 (0.40) | HTR6CXCR4HDAC1HDAC6CYP2D6 | |
| SCHEMBL9810226 | 0.87 | DDB1 (0.40) | HTR6CXCR4DDB1CRBNHDAC1 | |
| SCHEMBL9810195 | 0.87 | DDB1 (0.40) | HTR6CXCR4DDB1CRBNCYP2D6 | |
| SCHEMBL9810217 | 0.87 | HTR6 (0.54) | HTR6CXCR4DDB1CRBNHDAC1 | |
| Hydrochloric Acid SCHEMBL10568128 | 0.86 | DDB1 (0.40) | HTR6CXCR4DDB1CRBNHDAC1 | |
| Hydrochloric Acid SCHEMBL10569209 | 0.86 | CXCR4 (0.40) | HTR6CXCR4DDB1CRBNCYP2D6 | |
| SCHEMBL10574015 | 0.85 | DDB1 (0.46) | HTR6CXCR4DDB1CRBNHDAC1 | |
| SCHEMBL9810155 | 0.85 | CYP1A2 (0.46) | HTR6CXCR4CYP2D6 | |
| SCHEMBL9810223 | 0.84 | DDB1 (0.44) | CXCR4DDB1CRBNCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| 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-5001131-A | Pyridine derivatives | JOHN WYETH & BROTHER LIMITED (GB) | 1991-03-19 | — | — | US | 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 |