Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.36 |
| ▸ | PTGES | O14684 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL517018 | 0.99 | TP53 (0.43) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL16457356 | 0.97 | TP53 (0.43) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL16458014 | 0.94 | TP53 (0.41) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL516846 | 0.91 | TP53 (0.40) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL16457501 | 0.89 | TP53 (0.44) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL517305 | 0.89 | TP53 (0.44) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL517789 | 0.89 | TP53 (0.44) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL518071 | 0.88 | TP53 (0.45) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL517472 | 0.88 | TDP1 (0.42) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL517249 | 0.88 | TDP1 (0.42) | 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 3 patents. 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 |
| EP-2406215-A1 | OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010102717-A1 | OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-09-16 | — | — | WO | disclosed |