Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | TNNI3K | Q59H18 | 6/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL374166 | 0.92 | EGFR (0.61) | EGFRNPC1CDK1CCNB1CCNA2 | |
| SCHEMBL374904 | 0.78 | TNNI3K (0.57) | EGFRNPC1TNNI3KKDM1AMEN1 | |
| SCHEMBL14558182 | 0.77 | NPC1 (0.71) | EGFRNPC1TNNI3KKDM1AMEN1 | |
| SCHEMBL14558181 | 0.75 | CYP1A2 (0.52) | EGFRNPC1CDK1CCNB1CCNA2 | |
| SCHEMBL8798667 | 0.73 | EGFR (0.61) | EGFRCDK1CCNB1CCNA2CCNE1 | |
| SCHEMBL12517456 | 0.72 | TNNI3K (0.81) | EGFRTNNI3K | |
| SCHEMBL4108904 | 0.72 | CCNT1 (0.54) | EGFRMEN1KMT2AUSP2ALDH1A1 | |
| SCHEMBL374636 | 0.72 | CYP2D6 (0.51) | EGFRNPC1CDK1CCNB1CCNA2 | |
| SCHEMBL14558177 | 0.71 | EGFR (0.47) | EGFRCDK1CCNB1CCNA2CDK2 | |
| SCHEMBL3431925 | 0.70 | CDK1 (0.60) | EGFRNPC1CDK1CCNB1CCNA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101035769-A | Pyrimidine urea derivatives as kinase inhibitors | NOVARTIS AG (CH) | 2007-09-12 | — | — | CN | disclosed |