Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | STAT6 | P42226 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 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 SCHEMBL10571311 | 0.99 | ESR1 (0.37) | ESR1SLC6A3LMNAKDM4EABCB11 | |
| SCHEMBL9810223 | 0.84 | DDB1 (0.44) | PDPK1ADORA2ACXCR4 | |
| Hydrochloric Acid SCHEMBL10571722 | 0.83 | DDB1 (0.43) | PDPK1ADORA2ACXCR4 | |
| SCHEMBL9810224 | 0.82 | DDB1 (0.39) | KDM4ECXCR4KMT2AALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL10570078 | 0.81 | DDB1 (0.38) | KDM4ECXCR4KMT2AALDH1A1MAPT | |
| SCHEMBL10574015 | 0.81 | DDB1 (0.46) | KDM4EHDAC1HDAC6CXCR4KMT2A | |
| Hydrochloric Acid SCHEMBL10569604 | 0.81 | HDAC1 (0.43) | KDM4EHDAC1HDAC6ADORA2ACXCR4 | |
| SCHEMBL9810216 | 0.81 | CYP2D6 (0.39) | CYP3A4CYP2C9CXCR4KMT2AMAPT | |
| SCHEMBL9810209 | 0.80 | CXCR4 (0.40) | HDAC1HDAC6CXCR4 | |
| SCHEMBL9810195 | 0.80 | DDB1 (0.40) | CXCR4 |
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 |