Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 8/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL669800 | 0.81 | PTK2B (0.46) | AURKAMETKDR | |
| SCHEMBL10125436 | 0.75 | MAP3K12 (0.36) | MAP3K12 | |
| SCHEMBL15023735 | 0.75 | PTK2B (0.46) | — | |
| SCHEMBL10125761 | 0.70 | TBK1 (0.45) | MET | |
| SCHEMBL10125381 | 0.66 | PTK2B (0.47) | — | |
| SCHEMBL10125382 | 0.66 | TBK1 (0.45) | MET | |
| SCHEMBL15023744 | 0.65 | PTK2B (0.49) | — | |
| SCHEMBL669843 | 0.65 | PTK2B (0.49) | — | |
| SCHEMBL10125760 | 0.64 | PTK2B (0.51) | AURKAMETKDR | |
| SCHEMBL10125762 | 0.64 | PTK2B (0.51) | AURKAMETKDR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012022408-A1 | PYRIMIDINE DERIVATIVES AS FAK INHIBITORS | MERCK PATENT GMBH (DE) | 2012-02-23 | — | — | WO | disclosed |