Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8365591 | 0.77 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL6131064 | 0.75 | ABCG2 (0.53) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL28335609 | 0.74 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL14340863 | 0.74 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL2556578 | 0.73 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL1935007 | 0.73 | AR (0.47) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL31634700 | 0.73 | NPY5R (0.41) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL31754617 | 0.72 | KDM4E (0.53) | CYP1A2HSD17B10ALOX15TDP1ALDH1A1 | |
| SCHEMBL1232247 | 0.72 | MEN1 (0.51) | ALDH1A1LRRK2CLK4CTSKNPC1 | |
| SCHEMBL29640777 | 0.72 | KDM4E (0.53) | CYP1A2HSD17B10ALOX15TDP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2462123-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | Schering Corporation (US) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011017296-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | SCHERING CORPORATION (US) | 2011-02-10 | — | — | WO | disclosed |