Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.45 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 4/20 | 0.40 |
| ▸ | FNTB | P49356 | 4/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
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 SCHEMBL10572560 | 0.99 | DDB1 (0.44) | DDB1CRBNKDM4EMEN1ALDH1A1 | |
| SCHEMBL9810226 | 0.85 | DDB1 (0.40) | DDB1CRBNKDM4EALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL10568128 | 0.84 | DDB1 (0.40) | DDB1CRBNKDM4EALDH1A1HPGD | |
| SCHEMBL9770476 | 0.84 | HTR6 (0.40) | DDB1CRBNCXCR4 | |
| Hydrochloric Acid SCHEMBL9770615 | 0.82 | HTR6 (0.39) | DDB1CRBNCXCR4 | |
| SCHEMBL9810155 | 0.81 | CYP1A2 (0.46) | CXCR4 | |
| Hydrochloric Acid SCHEMBL10571083 | 0.80 | CYP1A2 (0.46) | CXCR4 | |
| SCHEMBL9810209 | 0.77 | CXCR4 (0.40) | CXCR4 | |
| SCHEMBL9810217 | 0.77 | HTR6 (0.54) | DDB1CRBNCXCR4 | |
| SCHEMBL9810195 | 0.77 | DDB1 (0.40) | DDB1CRBNCXCR4 |
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 |