Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 4/20 | 0.40 |
| ▸ | DBF4 | Q9UBU7 | 4/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 3/20 | 0.33 |
| ▸ | CDK8 | P49336 | 3/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.33 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15576129 | 0.71 | CSNK1A1 (0.46) | CSNK1A1TYRO3DYRK1BKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL612294 | 0.70 | IKBKB (0.56) | CDC7DBF4CHEK1GPR35ROCK1 | |
| SCHEMBL5256317 | 0.69 | NISCH (0.50) | CHEK1SMPD3KDM4EALDH1A1AURKA | |
| SCHEMBL15576072 | 0.64 | IKBKB (0.53) | KDM4EALDH1A1ROCK2IKBKB | |
| SCHEMBL4498103 | 0.63 | CHEK1 (0.58) | CHEK1 | |
| SCHEMBL16638963 | 0.63 | DYRK1A (0.42) | DYRK1BCDC7DBF4CHEK1GPR35 | |
| SCHEMBL15323302 | 0.63 | BCAT2 (0.57) | GPR35ROCK1KDM4EALDH1A1ROCK2 | |
| SCHEMBL15575398 | 0.62 | ITK (0.43) | — | |
| SCHEMBL1719605 | 0.62 | CCNC (0.54) | CSNK1A1TYRO3DYRK1BKDM4EALDH1A1 | |
| SCHEMBL5104137 | 0.61 | IKBKB (0.57) | CSNK1A1TYRO3DYRK1BCDC7ROCK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2890691-A1 | BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS | Principia Biopharma Inc. (US) | 2015-07-08 | — | — | EP | disclosed |
| WO-2014036016-A1 | BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2014-03-06 | — | — | WO | disclosed |