Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13459543 | 0.80 | DYRK1A (0.39) | ALDH1A1CYP3A4KMT2AMEN1CA12 | |
| SCHEMBL5685063 | 0.70 | L3MBTL1 (0.46) | ALDH1A1CYP3A4TSHRKMT2AMAPT | |
| SCHEMBL23926509 | 0.70 | ALDH1A1 (0.65) | ALDH1A1CYP3A4TSHRRECQLKMT2A | |
| SCHEMBL11819002 | 0.70 | TDP1 (0.64) | ALDH1A1KMT2AMAPTMEN1RAB9A | |
| SCHEMBL13459551 | 0.68 | PLAU (0.44) | ALDH1A1CYP3A4TSHRKMT2AMAPT | |
| SCHEMBL6652930 | 0.67 | AKR1C3 (0.59) | ALDH1A1CYP3A4TSHRRECQLKMT2A | |
| SCHEMBL7088850 | 0.67 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TSHRRECQLKMT2A | |
| SCHEMBL8146041 | 0.66 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRKMT2AMAPT | |
| SCHEMBL16280579 | 0.66 | ALDH1A1 (0.65) | ALDH1A1CYP3A4TSHRRECQLKMT2A | |
| SCHEMBL30839745 | 0.66 | ALDH1A1 (0.65) | ALDH1A1CYP3A4TSHRRECQLKMT2A |
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 |