Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 8/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.43 |
| ▸ | MELK | Q14680 | 1/20 | 0.43 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6324485 | 0.93 | ROCK1 (0.45) | PARP1RECQLTDP1ROCK2JAK2 | |
| SCHEMBL17321356 | 0.85 | PARP1 (0.50) | PARP1ROCK2ROCK1KDM4EALDH1A1 | |
| SCHEMBL22473866 | 0.82 | PARP1 (0.44) | PARP1ROCK2ROCK1GRM5CHEK1 | |
| SCHEMBL12448944 | 0.79 | ROCK2 (0.57) | PARP1ROCK2ROCK1 | |
| SCHEMBL12034618 | 0.79 | PARP1 (0.44) | PARP1ROCK2ROCK1KDM4EALDH1A1 | |
| SCHEMBL4002310 | 0.79 | TYMS (0.50) | PARP1RECQLTDP1ROCK2JAK2 | |
| SCHEMBL17801551 | 0.79 | PARP1 (0.44) | PARP1RECQLTDP1ROCK2JAK2 | |
| Hydrochloric Acid SCHEMBL4002322 | 0.77 | TYMS (0.49) | PARP1RECQLTDP1ROCK2JAK2 | |
| SCHEMBL4000783 | 0.75 | ROCK2 (0.54) | PARP1RECQLTDP1ROCK2ROCK1 | |
| SCHEMBL4008761 | 0.75 | ROCK2 (0.47) | PARP1ROCK2ROCK1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3227279-B1 | 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS | LILLY CO ELI (US) | 2019-02-13 | — | — | EP | disclosed |