Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 4/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | CSF1R | P07333 | 3/20 | 0.52 |
| ▸ | RAF1 | P04049 | 1/20 | 0.51 |
| ▸ | FLT3 | P36888 | 2/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13459602 | 0.90 | NTRK1 (0.52) | BRAFCSF1RRAF1FLT3KDR | |
| SCHEMBL13459839 | 0.84 | RAF1 (0.52) | BRAFMAPK14SMN1; SMN2TP53MAPT | |
| SCHEMBL13459944 | 0.80 | CSF1R (0.55) | CSF1RFLT3KDRTRPV1AURKB | |
| SCHEMBL13459943 | 0.74 | TEK (0.54) | BRAFMAPK14SMN1; SMN2CSF1RRAF1 | |
| SCHEMBL13459819 | 0.73 | CSF1R (0.50) | BRAFCSF1RRAF1KDRTRPV1 | |
| SCHEMBL2342089 | 0.73 | MAPK14 (0.59) | BRAFMAPK14MAPTRAF1 | |
| SCHEMBL4622855 | 0.72 | ROCK1 (0.69) | SMN1; SMN2TP53MAPTMEN1KMT2A | |
| SCHEMBL6848240 | 0.72 | TP53 (0.57) | BRAFSMN1; SMN2TP53MAPTTHRB | |
| SCHEMBL22772383 | 0.72 | CSF1R (0.63) | BRAFSMN1; SMN2TP53MAPTTHRB | |
| SCHEMBL4248596 | 0.72 | SMN1; SMN2 (0.71) | BRAFSMN1; SMN2TP53MAPTTHRB |
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 |