Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 9/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 5/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.39 |
| ▸ | FLT3 | P36888 | 4/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4592899 | 0.86 | KDR (0.47) | KDR | |
| SCHEMBL4593791 | 0.83 | KDR (0.46) | KDRMKNK1KITUSP30 | |
| SCHEMBL4585264 | 0.76 | CHEK1 (0.51) | KDRCHEK1 | |
| SCHEMBL4587627 | 0.74 | KDR (0.49) | KDR | |
| SCHEMBL4592939 | 0.67 | CHEK1 (0.53) | KDRCHEK1 | |
| SCHEMBL4592898 | 0.67 | KDR (0.51) | KDR | |
| SCHEMBL15253385 | 0.66 | CHRNA3 (0.48) | — | |
| SCHEMBL7203833 | 0.66 | MKNK1 (0.48) | KDRMKNK1USP30UCHL1 | |
| SCHEMBL4593293 | 0.66 | KDR (0.41) | KDRFLT3AURKA | |
| SCHEMBL20893488 | 0.66 | GPR119 (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1558609-A4 | KINASE INHIBITORS | MERCK & CO INC (US) | 2008-05-28 | — | — | EP | claimed |
| EP-1558609-A2 | KINASE INHIBITORS | Merck & Co., Inc. (US) | 2005-08-03 | — | — | EP | claimed |
| WO-2004041164-A2 | KINASE INHIBITORS | MERCK & CO., INC. (US) | 2004-05-21 | — | — | WO | claimed |
| EP-1558609-A4 | KINASE INHIBITORS | MERCK & CO INC (US) | 2008-05-28 | — | — | EP | disclosed |
| EP-1558609-A2 | KINASE INHIBITORS | Merck & Co., Inc. (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004041164-A2 | KINASE INHIBITORS | MERCK & CO., INC. (US) | 2004-05-21 | — | — | WO | disclosed |