Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CDK2 | P24941 | 10/20 | 0.42 |
| ▸ | CDK1 | P06493 | 8/20 | 0.42 |
| ▸ | CDK7 | P50613 | 3/20 | 0.42 |
| ▸ | CDK9 | P50750 | 3/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.42 |
| ▸ | CCNH | P51946 | 2/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 7/20 | 0.42 |
| ▸ | CDK4 | P11802 | 3/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14011222 | 0.83 | CDK2 (0.59) | CA2CA1CA9CDK2CDK4 | |
| SCHEMBL8323680 | 0.76 | GAA (0.46) | CDK2CDK7CDK9CCNT1CCNH | |
| SCHEMBL8326253 | 0.74 | KDR (0.50) | CDK2CDK1CDK7CCNHKDR | |
| SCHEMBL8317411 | 0.71 | CDK2 (0.58) | CDK2CDK1CDK7CDK9CCNT1 | |
| SCHEMBL8317365 | 0.69 | CDK2 (0.60) | CDK2CDK4MEN1KMT2AMAPT | |
| SCHEMBL8317316 | 0.69 | CDK2 (0.74) | CDK2CDK4NPC1 | |
| SCHEMBL8316804 | 0.69 | CDK4 (0.59) | CDK2CDK4KMT2ANPC1 | |
| SCHEMBL8325791 | 0.69 | CDK2 (0.56) | CDK2KDRCDK4MEN1KMT2A | |
| SCHEMBL28791529 | 0.66 | KMT2A (0.80) | CA2CA1CA9MEN1KMT2A | |
| SCHEMBL24477620 | 0.64 | CA2 (0.55) | CA2CA1CA9CDK2CDK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7456190-B2 | Compositions useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-25 | — | — | US | disclosed |
| US-7456190-B2 | Compositions useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-25 | — | — | US | disclosed |
| WO-2004083203-A1 | COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-09-30 | — | — | WO | disclosed |