Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 17/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.68 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.49 |
| ▸ | RIPK3 | Q9Y572 | 3/20 | 0.49 |
| ▸ | MLKL | Q8NB16 | 2/20 | 0.49 |
| ▸ | AURKA | O14965 | 2/20 | 0.49 |
| ▸ | KIT | P10721 | 5/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 5/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.46 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.46 |
| ▸ | PLK4 | O00444 | 1/20 | 0.46 |
| ▸ | GAK | O14976 | 1/20 | 0.46 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.46 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.46 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5225821 | 0.91 | KDR (0.57) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL5226899 | 0.86 | KDR (0.72) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5227046 | 0.82 | KDR (0.66) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4980358 | 0.82 | KDR (0.81) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5227042 | 0.82 | KDR (0.69) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL588536 | 0.82 | KDR (1.00) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL5226870 | 0.81 | KDR (0.72) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL4982202 | 0.81 | KDR (0.72) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5225564 | 0.80 | KDR (0.38) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4978608 | 0.79 | KDR (0.82) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 |
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-1487824-B1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-06-20 | — | — | EP | claimed |