Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 6/20 | 0.43 |
| ▸ | TDO2 | P48775 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2202298 | 0.81 | HTR2A (0.44) | IDO1TDO2POLBIRAK4 | |
| SCHEMBL2202303 | 0.81 | HTR2A (0.44) | IDO1TDO2POLBIRAK4 | |
| SCHEMBL10839238 | 0.79 | IDO1 (0.44) | IDO1TDO2IRAK4HTR6 | |
| SCHEMBL10906269 | 0.78 | CHRNB4 (0.59) | MAPTCHRNB4CHRNA3 | |
| SCHEMBL10906268 | 0.78 | CHRNB4 (0.59) | MAPTCHRNB4CHRNA3 | |
| SCHEMBL1116568 | 0.77 | LTA4H (0.52) | POLBIRAK4LTA4HCHRNB4CHRNA3 | |
| SCHEMBL3329262 | 0.77 | LTA4H (0.52) | POLBIRAK4LTA4HCHRNB4CHRNA3 | |
| SCHEMBL1116569 | 0.77 | LTA4H (0.52) | POLBIRAK4LTA4HCHRNB4CHRNA3 | |
| SCHEMBL20837293 | 0.75 | MAPT (0.53) | KDM4EGAAMAPTHDAC3HDAC1 | |
| SCHEMBL977627 | 0.74 | PTGER4 (0.47) | KDM4EGAAMAPTHDAC3HDAC1 |
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 |