Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 20/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MET | P08581 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226087 | 0.94 | KDR (0.52) | KDRMET | |
| SCHEMBL5226102 | 0.87 | KDR (0.59) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5228361 | 0.85 | KDR (0.55) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5224542 | 0.85 | KDR (0.53) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4978763 | 0.83 | KDR (0.54) | KDR | |
| SCHEMBL5225841 | 0.82 | KDR (0.59) | KDR | |
| SCHEMBL5226222 | 0.82 | KDR (0.54) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4978947 | 0.81 | KDR (0.57) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5226814 | 0.81 | KDR (0.39) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4978921 | 0.81 | KDR (0.61) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7338959-B2 | Diamino-pyrimidines and their use as angiogenesis inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 2008-03-04 | — | — | US | disclosed |
| US-7338959-B2 | Diamino-pyrimidines and their use as angiogenesis inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 2008-03-04 | — | — | US | disclosed |
| EP-1487824-B1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-06-20 | — | — | EP | disclosed |