Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | RXRA | P19793 | 9/20 | 0.34 |
| ▸ | PPARG | P37231 | 7/20 | 0.34 |
| ▸ | RARA | P10276 | 3/20 | 0.34 |
| ▸ | RXRB | P28702 | 3/20 | 0.34 |
| ▸ | RXRG | P48443 | 3/20 | 0.34 |
| ▸ | RARB | P10826 | 2/20 | 0.34 |
| ▸ | RARG | P13631 | 2/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12633334 | 0.86 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL30962428 | 0.74 | CYP1A2 (0.57) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL27322 | 0.74 | CYP1A2 (0.57) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL1874073 | 0.74 | CYP1A2 (0.35) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL1406187 | 0.73 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL12633314 | 0.73 | TSHR (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL30238059 | 0.72 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL499910 | 0.72 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL20408076 | 0.71 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL8007507 | 0.70 | VCAM1 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7947831-B2 | Sulfoxides or sulfones grafted onto polymers | BASF SE Ludwigshafen (DE) | 2011-05-24 | — | — | US | disclosed |
| US-20070015870-A1 | Sulfoxides or sulfones grafted onto polymers | CIBA CORPORATION | 2007-01-18 | — | — | US | disclosed |