Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 17/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | KIT | P10721 | 2/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.47 |
| ▸ | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5227861 | 0.95 | KDR (0.60) | KDRKITPDGFRACYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL5223205 | 0.94 | KDR (0.48) | KDRAURKAKITPDGFRACYP3A4 | |
| SCHEMBL14263363 | 0.93 | KDR (0.53) | KDRAURKAKITPDGFRACYP3A4 | |
| Trifluoroacetic Acid SCHEMBL4978400 | 0.93 | KDR (0.57) | KDRAURKACYP3A4CYP2D6CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL5227911 | 0.92 | KDR (0.53) | KDRAURKACYP3A4CYP2D6CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL5228503 | 0.91 | KDR (0.55) | KDRAURKACYP3A4CYP2D6CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL5224720 | 0.89 | KDR (0.48) | KDRAURKAKITPDGFRACYP3A4 | |
| SCHEMBL5226530 | 0.88 | KDR (0.57) | KDRAURKACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14263369 | 0.88 | KDR (0.58) | KDRKITPDGFRACYP3A4CYP2D6 | |
| SCHEMBL14263341 | 0.88 | KDR (0.51) | KDRAURKAKITPDGFRACYP3A4 |
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 |