Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 8/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 2/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.34 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 6/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5222688 | 0.91 | KDR (0.40) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5228803 | 0.91 | KDR (0.40) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4978637 | 0.90 | KDR (0.35) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5224254 | 0.89 | KDR (0.38) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5224606 | 0.87 | KDR (0.37) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5225575 | 0.86 | KDR (0.36) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5226754 | 0.85 | KDR (0.39) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5226713 | 0.84 | CYP3A4 (0.34) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4978772 | 0.83 | KDR (0.37) | KDRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5226236 | 0.83 | BRAF (0.45) | KDRBRAFRAF1HDAC6GCGR |
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 | disclosed |