Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 10/20 | 0.59 |
| ▸ | CDK2 | P24941 | 10/20 | 0.59 |
| ▸ | EIF2AK2 | P19525 | 5/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14011223 | 0.90 | CDK4 (0.50) | CDK4CDK2EIF2AK2JAK2JAK3 | |
| SCHEMBL8317316 | 0.90 | CDK2 (0.74) | CDK4CDK2EIF2AK2ALDH1A1NPC1 | |
| SCHEMBL8317365 | 0.90 | CDK2 (0.60) | CDK4CDK2EIF2AK2ALDH1A1KMT2A | |
| SCHEMBL8324564 | 0.89 | CDK4 (0.66) | CDK4CDK2EIF2AK2NPC1RAB9A | |
| SCHEMBL8324791 | 0.88 | EIF2AK2 (0.61) | CDK4CDK2EIF2AK2CAMK2DALDH1A1 | |
| SCHEMBL14011221 | 0.88 | SYK (0.53) | CDK4CDK2EIF2AK2JAK2JAK3 | |
| SCHEMBL8316906 | 0.87 | CDK4 (0.58) | CDK4CDK2EIF2AK2JAK2JAK3 | |
| SCHEMBL8325791 | 0.86 | CDK2 (0.56) | CDK4CDK2NPC1RAB9AKMT2A | |
| SCHEMBL14011222 | 0.86 | CDK2 (0.59) | CDK4CDK2 | |
| SCHEMBL8326117 | 0.85 | CDK2 (0.51) | CDK4CDK2EIF2AK2JAK2JAK3 |
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 |