Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 16/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.45 |
| ▸ | PRKCG | P05129 | 3/20 | 0.45 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.45 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.45 |
| ▸ | PHKG2 | P15735 | 2/20 | 0.45 |
| ▸ | MARK3 | P27448 | 2/20 | 0.45 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.45 |
| ▸ | CLK2 | P49760 | 2/20 | 0.45 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.45 |
| ▸ | NEK4 | P51957 | 2/20 | 0.45 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.45 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 0.45 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.45 |
| ▸ | CAMK2G | Q13555 | 2/20 | 0.45 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8027050 | 0.81 | ITK (0.45) | ITKCHEK2PRKCGCSNK1DRPS6KA3 | |
| SCHEMBL8029894 | 0.80 | ITK (0.43) | ITKCHEK2PRKCGCSNK1DRPS6KA3 | |
| SCHEMBL6635652 | 0.79 | PPARG (0.43) | ITKCHEK2PRKCGCSNK1DRPS6KA3 | |
| SCHEMBL6635985 | 0.77 | ITK (0.43) | ITKCHEK2PRKCGCSNK1DRPS6KA3 | |
| SCHEMBL6638619 | 0.69 | HCRTR2 (0.43) | KDM1AKMT2A | |
| SCHEMBL8026495 | 0.69 | ACSL1 (0.42) | ITKCHEK2PRKCGCSNK1DRPS6KA3 | |
| SCHEMBL7979533 | 0.67 | F2 (0.41) | ITKCHEK2PRKCGCSNK1DRPS6KA3 | |
| SCHEMBL8026566 | 0.66 | F2 (0.63) | — | |
| SCHEMBL8016515 | 0.65 | ITK (0.44) | ITKCHEK2PRKCGCSNK1DRPS6KA3 | |
| SCHEMBL6635791 | 0.65 | CNR2 (0.40) | ITKCHEK2PRKCGCSNK1DRPS6KA3 |
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-1100795-B1 | DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-06-09 | — | — | EP | disclosed |
| US-6121308-A | INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBONYLMETHYL) -QUINOLINE-8-SULPHONYLAMINO)-INDOLE | BOEHRINGER INGELHEIM KG (DE) | 2000-09-19 | — | — | US | disclosed |