Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT1 | P17948 | 1/20 | 0.51 |
| ▸ | TEK | Q02763 | 1/20 | 0.51 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | RAF1 | P04049 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 9/20 | 0.45 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.45 |
| ▸ | KIT | P10721 | 1/20 | 0.45 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 2/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13459937 | 0.84 | RIPK1 (0.48) | RIPK1KDRPDGFRAKITCYP3A4 | |
| SCHEMBL13459528 | 0.83 | FLT1 (0.54) | FLT1TEKRIPK1CA12CA1 | |
| SCHEMBL13459835 | 0.77 | RIPK1 (0.75) | TEKRIPK1KDRBRAF | |
| SCHEMBL22588908 | 0.74 | CA12 (0.72) | CA12CA1CA2CA9RAF1 | |
| SCHEMBL1492839 | 0.74 | PORCN (0.61) | FLT1TEKCA12CA1CA2 | |
| SCHEMBL13459571 | 0.72 | IMPDH2 (0.51) | CA12CA1CA2CA9RAF1 | |
| SCHEMBL1334315 | 0.71 | KDR (0.79) | FLT1KDR | |
| SCHEMBL21295354 | 0.71 | MAPT (0.72) | CA12CA1CA2CA9RAF1 | |
| SCHEMBL3529742 | 0.71 | KDR (0.79) | FLT1TEKKDRKIT | |
| Hydrochloric Acid SCHEMBL7657613 | 0.70 | HTR2C (0.57) | FLT1CA12CA1CA2CA9 |
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 |