Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 17/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL5227882 | 0.94 | KDR (0.49) | KDRAURKACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5225387 | 0.93 | KDR (0.57) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4981188 | 0.91 | KDR (0.49) | KDRAURKACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5223219 | 0.90 | KDR (0.47) | KDRAURKACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5222723 | 0.89 | KDR (0.48) | KDRAURKACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14263363 | 0.88 | KDR (0.53) | KDRAURKACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6407659 | 0.87 | KDR (0.54) | KDRAURKACYP3A4CYP2D6CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL5226596 | 0.86 | KDR (0.52) | KDRAURKACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5226530 | 0.86 | KDR (0.57) | KDRAURKACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14263341 | 0.85 | KDR (0.51) | KDRAURKACYP3A4CYP2D6CYP2C9 |
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-1487824-B1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-06-20 | — | — | EP | claimed |
| EP-1487824-B1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-06-20 | — | — | EP | disclosed |