Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 18/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KIT | P10721 | 2/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4983918 | 0.94 | KDR (0.54) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4980395 | 0.93 | KDR (0.54) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14263379 | 0.93 | KDR (0.52) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4984367 | 0.92 | KDR (0.58) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4977069 | 0.91 | KDR (0.57) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4978947 | 0.90 | KDR (0.57) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14263350 | 0.89 | KDR (0.53) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4980144 | 0.89 | KDR (0.48) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5225841 | 0.89 | KDR (0.59) | KDRAURKA | |
| Hydrochloric Acid SCHEMBL5223883 | 0.88 | KDR (0.48) | 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 |