Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.53 |
| ▸ | IMPDH2 | P12268 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.45 |
| ▸ | KDR | P35968 | 3/20 | 0.45 |
| ▸ | CSF1R | P07333 | 2/20 | 0.45 |
| ▸ | FLT1 | P17948 | 2/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.45 |
| ▸ | FLT3 | P36888 | 2/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | TYK2 | P29597 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | FLT4 | P35916 | 1/20 | 0.45 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.45 |
| ▸ | STK3 | Q13188 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13632604 | 0.82 | KDR (0.59) | TRPV1KDR | |
| SCHEMBL13459838 | 0.82 | MEN1 (0.55) | TRPV1IMPDH2CYP3A4KDRCSF1R | |
| SCHEMBL13459571 | 0.81 | IMPDH2 (0.51) | TRPV1IMPDH2CYP3A4CYP3A5KDR | |
| SCHEMBL13459592 | 0.80 | RIPK1 (0.69) | TRPV1RIPK1KDRCSF1RFLT1 | |
| SCHEMBL13459594 | 0.80 | HTR2B (0.53) | TRPV1IMPDH2CYP3A4CYP3A5KDR | |
| SCHEMBL13459539 | 0.79 | EGFR (0.60) | TRPV1KDRCSF1RFLT1RPS6KB1 | |
| SCHEMBL13459834 | 0.78 | CYP3A4 (0.58) | TRPV1CYP3A4CYP3A5KDRROCK2 | |
| SCHEMBL4516431 | 0.76 | RIPK1 (0.70) | TRPV1RIPK1KDRCSF1RFLT1 | |
| SCHEMBL4527096 | 0.75 | NPC1 (0.53) | TRPV1IMPDH2KDR | |
| SCHEMBL13632602 | 0.75 | RIPK1 (0.61) | TRPV1RIPK1KDRCSF1RFLT1 |
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 |