Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 6/20 | 0.52 |
| ▸ | THRB | P10828 | 5/20 | 0.52 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6080985 | 0.96 | MCHR1 (0.54) | THRATHRBMCHR1MAPK14CYP1A2 | |
| SCHEMBL6081903 | 0.91 | MCHR1 (0.54) | MCHR1MAPK14CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6081922 | 0.89 | HRH3 (0.54) | MCHR1MAPK14CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6081522 | 0.88 | ALDH1A1 (0.55) | MCHR1MAPK14CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6081053 | 0.87 | MCHR1 (0.51) | MCHR1MAPK14CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6081632 | 0.85 | MCHR1 (0.52) | MCHR1MAPK14CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1728477 | 0.84 | MCHR1 (0.56) | MCHR1MAPK14CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6081331 | 0.84 | MCHR1 (0.53) | MCHR1MAPK14CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6082120 | 0.82 | MCHR1 (0.49) | MCHR1MAPK14CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6081954 | 0.82 | MCHR1 (0.49) | MCHR1MAPK14CYP1A2CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7141561-B2 | Substituted diaryl heterocycles, process for their preparation and their use as medicaments | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-11-28 | — | — | US | disclosed |