Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 2/20 | 0.40 |
| ▸ | TTK | P33981 | 2/20 | 0.39 |
| ▸ | PLK1 | P53350 | 14/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12694743 | 0.86 | PLK1 (0.47) | IDH1TTKPLK1BRD4BRDT | |
| SCHEMBL523858 | 0.86 | PLK1 (0.47) | IDH1TTKPLK1BRD4BRDT | |
| SCHEMBL2360775 | 0.83 | IDH1 (0.42) | IDH1TTKPLK1BRD4BRDT | |
| SCHEMBL2320434 | 0.81 | RPS6KA6 (0.41) | IDH1TTKPLK1 | |
| SCHEMBL522298 | 0.74 | IDH1 (0.46) | IDH1TTKPLK1BRD4BRDT | |
| SCHEMBL522297 | 0.74 | IDH1 (0.46) | IDH1TTKPLK1BRD4BRDT | |
| SCHEMBL522813 | 0.73 | IDH1 (0.51) | IDH1TTKPLK1BRD4BRDT | |
| SCHEMBL522204 | 0.73 | IDH1 (0.51) | IDH1TTKPLK1BRD4BRDT | |
| SCHEMBL523913 | 0.72 | PLK1 (0.46) | IDH1TTKPLK1BRD4BRDT | |
| SCHEMBL524087 | 0.72 | PLK1 (0.46) | IDH1TTKPLK1BRD4BRDT |
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-8278297-B2 | Protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-02 | — | — | US | disclosed |
| EP-2356122-A1 | PROTEIN KINASE INHIBITORS | Vertex Pharmceuticals Incorporated (US) | 2011-08-17 | — | — | EP | disclosed |
| WO-2010008454-A1 | PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-01-21 | — | — | WO | disclosed |