Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 20/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.56 |
| ▸ | KIT | P10721 | 2/20 | 0.52 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5229088 | 0.99 | KDR (0.55) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4980819 | 0.90 | KDR (0.71) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4980945 | 0.89 | KDR (0.70) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4980459 | 0.88 | KDR (0.62) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4976821 | 0.88 | KDR (0.53) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14263351 | 0.88 | KDR (0.58) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4977042 | 0.88 | KDR (0.53) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14263452 | 0.88 | KDR (0.52) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4976772 | 0.88 | KDR (0.62) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4980109 | 0.88 | KDR (0.52) | 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 |