Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 11/20 | 0.42 |
| ▸ | KDR | P35968 | 9/20 | 0.42 |
| ▸ | CDK2 | P24941 | 8/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CDK4 | P11802 | 2/20 | 0.42 |
| ▸ | CDK7 | P50613 | 2/20 | 0.42 |
| ▸ | CDK9 | P50750 | 2/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CCNH | P51946 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | SYK | P43405 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4016880 | 1.00 | CHEK1 (0.45) | CHEK1FLT3NPC1RAB9ACDK1 | |
| SCHEMBL13648454 | 0.88 | NPC1 (0.48) | CHEK1FLT3NPC1RAB9ACDK1 | |
| SCHEMBL13648652 | 0.87 | CDK1 (0.57) | CHEK1CDK1KDRCDK2CA2 | |
| SCHEMBL5173644 | 0.87 | AURKA (0.52) | CHEK1FLT3NPC1RAB9ACDK1 | |
| SCHEMBL13648525 | 0.87 | CDK1 (0.57) | CHEK1CDK1KDRCDK2CA2 | |
| SCHEMBL4018345 | 0.87 | AURKA (0.52) | CHEK1FLT3NPC1RAB9ACDK1 | |
| SCHEMBL3931675 | 0.83 | CDK1 (0.56) | CDK1KDRCDK2CA2CDK4 | |
| SCHEMBL4020087 | 0.83 | CDK2 (0.63) | RAB9ACDK1KDRCDK2CA2 | |
| SCHEMBL5174690 | 0.83 | CDK2 (0.63) | RAB9ACDK1KDRCDK2CA2 | |
| SCHEMBL4016887 | 0.83 | CHEK1 (0.45) | CHEK1FLT3NPC1RAB9ACDK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7291624-B2 | CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents | BAYER SCHERING PHARMA AG (DE) | 2007-11-06 | — | — | US | disclosed |