Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 6/20 | 0.61 |
| ▸ | CDK1 | P06493 | 6/20 | 0.61 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.57 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.57 |
| ▸ | CDK2 | P24941 | 3/20 | 0.57 |
| ▸ | CDK9 | P50750 | 3/20 | 0.57 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.57 |
| ▸ | CHUK | O15111 | 4/20 | 0.51 |
| ▸ | IKBKB | O14920 | 4/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.48 |
| ▸ | CDK7 | P50613 | 2/20 | 0.48 |
| ▸ | CCNH | P51946 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL24477853 | 0.81 | KDR (0.76) | KDRCDK1CCNT1CCNA2CDK2 | |
| SCHEMBL24478147 | 0.80 | KDR (0.74) | KDRCDK1CCNT1CCNA2CDK2 | |
| SCHEMBL24478142 | 0.79 | CCNT1 (0.62) | KDRCDK1CCNT1CCNA2CDK2 | |
| SCHEMBL24478141 | 0.75 | CDK1 (0.62) | KDRCDK1CCNT1CCNA2CDK2 | |
| SCHEMBL29315373 | 0.75 | KDR (0.48) | KDRCDK1CCNT1CCNA2CDK2 | |
| SCHEMBL1593001 | 0.73 | CCNT1 (1.00) | CDK1CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL29314862 | 0.73 | ADORA1 (0.64) | KDRCDK1ADORA2AADORA1 | |
| SCHEMBL24478143 | 0.73 | CDK1 (0.62) | KDRCDK1CCNT1CCNA2CDK2 | |
| SCHEMBL24478139 | 0.73 | KDR (0.64) | KDRCDK1CCNT1CCNA2CDK2 | |
| SCHEMBL6221829 | 0.71 | NPC1 (0.67) | KDRCDK1CCNT1CCNA2CDK2 |
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-3782986-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-10 | — | — | EP | disclosed |