Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 5/20 | 0.66 |
| ▸ | RIPK1 | Q13546 | 8/20 | 0.66 |
| ▸ | KDR | P35968 | 3/20 | 0.64 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.55 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.54 |
| ▸ | SRC | P12931 | 3/20 | 0.54 |
| ▸ | CDK2 | P24941 | 2/20 | 0.54 |
| ▸ | CDK8 | P49336 | 2/20 | 0.54 |
| ▸ | CSF1R | P07333 | 2/20 | 0.54 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.54 |
| ▸ | FLT3 | P36888 | 2/20 | 0.54 |
| ▸ | ABL1 | P00519 | 2/20 | 0.54 |
| ▸ | RAF1 | P04049 | 2/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.54 |
| ▸ | STK25 | O00506 | 1/20 | 0.54 |
| ▸ | CIT | O14578 | 1/20 | 0.54 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.54 |
| ▸ | IKBKB | O14920 | 1/20 | 0.54 |
| ▸ | AURKA | O14965 | 1/20 | 0.54 |
| ▸ | GAK | O14976 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13459601 | 0.91 | RET (0.64) | RETRIPK1KDRMKNK2MKNK1 | |
| SCHEMBL13459841 | 0.91 | RET (0.58) | RETRIPK1KDRMKNK2MKNK1 | |
| SCHEMBL13459593 | 0.88 | RET (0.64) | RETRIPK1KDRMKNK2MKNK1 | |
| SCHEMBL13459818 | 0.85 | RET (0.64) | RETRIPK1KDRMKNK2MKNK1 | |
| SCHEMBL13459587 | 0.82 | RET (0.55) | RETRIPK1KDRMKNK2MKNK1 | |
| SCHEMBL27927274 | 0.79 | ABL1 (0.60) | RETKDRSRCCDK2CDK8 | |
| SCHEMBL13459820 | 0.79 | RET (0.55) | RETRIPK1KDRMKNK2MKNK1 | |
| SCHEMBL16735349 | 0.78 | RAF1 (0.81) | KDRPDGFRBRAF1EGFRBRAF | |
| SCHEMBL24449290 | 0.77 | ABL1 (0.61) | RETKDRSRCCDK2CDK8 | |
| SCHEMBL2816963 | 0.77 | CDK1 (0.61) | RETKDRSRCCDK2CDK8 |
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-2010032986-A2 | NOVEL 5-(4-AMINOPHENYL)-ISOQUINOLINE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PRODUCTION METHOD FOR SAME, AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PROPHYLAXIS AND TREATMENT OF MEDICAL CONDITION INDUCED BY RAF KINASE HYPERACTIVITY | 주식회사 이큐스팜 (KR) | 2010-03-25 | — | — | WO | disclosed |