Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 3/20 | 0.51 |
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.49 |
| ▸ | RAF1 | P04049 | 2/20 | 0.49 |
| ▸ | BTK | Q06187 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13459817 | 0.81 | TRPV1 (0.53) | IMPDH2TRPV1CYP3A4CYP3A5KDR | |
| SCHEMBL13459539 | 0.78 | EGFR (0.60) | TRPV1BRAFKDRALDH1A1MAPT | |
| SCHEMBL13459599 | 0.78 | POLB (0.60) | NAMPTTRPV1ALDH1A1LMNAMAPT | |
| SCHEMBL13459838 | 0.77 | MEN1 (0.55) | IMPDH2TRPV1CYP3A4CA12CA1 | |
| SCHEMBL13632604 | 0.77 | KDR (0.59) | TRPV1CA12CA1CA2CA9 | |
| SCHEMBL13459594 | 0.77 | HTR2B (0.53) | IMPDH2TRPV1CYP3A4CYP3A5KDR | |
| SCHEMBL13459598 | 0.76 | CYP17A1 (0.54) | NAMPTTRPV1KDRALDH1A1LMNA | |
| SCHEMBL13459834 | 0.75 | CYP3A4 (0.58) | NAMPTTRPV1CYP3A4CYP3A5CA12 | |
| SCHEMBL13459592 | 0.75 | RIPK1 (0.69) | TRPV1KDR | |
| SCHEMBL12074747 | 0.74 | TNF (0.69) | CYP3A4CA12CA1CA2CA9 |
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 |