Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 7/20 | 0.34 |
| ▸ | PPARG | P37231 | 7/20 | 0.34 |
| ▸ | RARA | P10276 | 2/20 | 0.34 |
| ▸ | RARB | P10826 | 2/20 | 0.34 |
| ▸ | RXRB | P28702 | 2/20 | 0.34 |
| ▸ | RXRG | P48443 | 2/20 | 0.34 |
| ▸ | RARG | P13631 | 2/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.33 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL12633331 | 0.86 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL1874073 | 0.79 | CYP1A2 (0.35) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL30962428 | 0.78 | CYP1A2 (0.57) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL27322 | 0.78 | CYP1A2 (0.57) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL1406187 | 0.77 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL12633314 | 0.76 | TSHR (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL3412467 | 0.76 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL20408076 | 0.74 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL1406189 | 0.74 | CYP1A2 (0.50) | CYP3A4CYP2C9CYP2C19CYP1A2TSHR | |
| SCHEMBL14599163 | 0.72 | CYP3A4 (0.51) | 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 |