Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | KDR | P35968 | 2/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.47 |
| ▸ | IMPDH2 | P12268 | 6/20 | 0.46 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
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 | 0.80 | TRPV1 (0.53) | CYP3A4KDM4EKDRTRPV1IMPDH2 | |
| SCHEMBL8945056 | 0.78 | MAPT (0.67) | HTR2BCYP3A4KDM4EMEN1TP53 | |
| SCHEMBL13459838 | 0.78 | MEN1 (0.55) | CYP3A4KDM4EMEN1TP53CYP1A2 | |
| SCHEMBL9400617 | 0.78 | MEN1 (0.82) | HTR2BCYP3A4KDM4EMEN1TP53 | |
| Hydrochloric Acid SCHEMBL9400545 | 0.77 | HTR2C (0.82) | HTR2BCYP3A4KDM4EMEN1TP53 | |
| SCHEMBL13459571 | 0.77 | IMPDH2 (0.51) | CYP3A4MAPTKDRTRPV1IMPDH2 | |
| SCHEMBL13632604 | 0.76 | KDR (0.59) | MEN1TP53KMT2AKDRTRPV1 | |
| SCHEMBL13459539 | 0.76 | EGFR (0.60) | KDM4EMEN1MAPTKMT2AKDR | |
| SCHEMBL13459834 | 0.74 | CYP3A4 (0.58) | CYP3A4KDM4EMEN1MAPTKMT2A | |
| SCHEMBL13459592 | 0.74 | RIPK1 (0.69) | KDRTRPV1CSF1RFLT1FLT4 |
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 |