Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPY1R | P25929 | 2/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27947325 | 0.81 | MEN1 (0.43) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL13459941 | 0.80 | ALDH1A1 (0.40) | DYRK1ACA12CA1CA2CA9 | |
| SCHEMBL4511200 | 0.76 | TGFBR1 (0.50) | CA12CA1CA2CA9PLG | |
| SCHEMBL11819002 | 0.74 | TDP1 (0.64) | ALDH1A1MEN1KMT2AKDM4ETDP1 | |
| SCHEMBL13459551 | 0.73 | PLAU (0.44) | ALDH1A1NPY1RMEN1KMT2AKDM4E | |
| SCHEMBL13459534 | 0.70 | PLG (0.39) | DYRK1ACA12CA1CA2CA9 | |
| SCHEMBL27737402 | 0.68 | CA12 (0.63) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL10712973 | 0.67 | ALDH1A1 (0.71) | ALDH1A1MEN1KMT2ATDP1POLB | |
| SCHEMBL985839 | 0.67 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AKDM4ETDP1 | |
| SCHEMBL28001315 | 0.67 | ALDH1A1 (0.69) | CA12CA1CA2CA9ALDH1A1 |
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 |