Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.38 |
| ▸ | PTGES | O14684 | 2/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL16457356 | 0.95 | TP53 (0.43) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL517018 | 0.95 | TP53 (0.43) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL1725285 | 0.94 | TP53 (0.42) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL1178266 | 0.87 | BDKRB2 (0.41) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL517315 | 0.87 | TP53 (0.46) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL516846 | 0.87 | TP53 (0.40) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL518071 | 0.86 | TP53 (0.45) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| Bicarbonate SCHEMBL1079990 | 0.86 | BDKRB2 (0.43) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL517236 | 0.86 | TDP1 (0.43) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL516987 | 0.86 | TP53 (0.41) | TP53CYP1A2CYP3A4CYP2D6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2406215-B1 | OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2014-04-16 | — | — | EP | disclosed |