Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.55 |
| ▸ | NAMPT | P43490 | 2/20 | 0.52 |
| ▸ | MGLL | Q99685 | 2/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13459836 | 0.80 | POLB (0.54) | POLBROCK2NAMPTMGLLENPP2 | |
| SCHEMBL10259763 | 0.80 | POLB (0.83) | POLBROCK2NAMPTMGLLENPP2 | |
| SCHEMBL13459598 | 0.79 | CYP17A1 (0.54) | TRPV1ROCK2NAMPTMAPTMEN1 | |
| SCHEMBL13459571 | 0.78 | IMPDH2 (0.51) | TRPV1NAMPTMAPTALDH1A1LMNA | |
| SCHEMBL12058848 | 0.77 | POLB (0.65) | POLBROCK2NAMPTMGLLMAPT | |
| SCHEMBL13679756 | 0.77 | POLB (1.00) | POLBROCK2NAMPTMGLLENPP2 | |
| SCHEMBL1772434 | 0.77 | IKBKB (0.50) | — | |
| SCHEMBL3786345 | 0.75 | KDM1A (0.60) | POLBROCK2MGLLENPP2MAPT | |
| SCHEMBL1334862 | 0.74 | POLB (0.88) | POLBROCK2NAMPTMGLLENPP2 | |
| SCHEMBL28522273 | 0.74 | GAA (0.54) | TRPV1ROCK2MAPTMEN1ALDH1A1 |
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 |