Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL1728325 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5472 | 0.80 | KMT2A (0.36) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3711295 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP3A4KDM4EMAPK1 | |
| SCHEMBL1885037 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8614 | 0.78 | DRD4 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL845051 | 0.77 | NPSR1 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2117089 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7863 | 0.73 | PIK3CD (0.38) | ALDH1A1KDM4ETAAR1HSD17B10SMN1; SMN2 | |
| SCHEMBL716685 | 0.71 | L3MBTL1 (0.34) | L3MBTL1SMN1; SMN2 | |
| SCHEMBL5139 | 0.71 | CNR1 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499126-A1 | FUSED BICYCLIC PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS | UCB Pharma, S.A. (BE) | 2012-09-19 | — | — | EP | disclosed |
| EP-2499144-A1 | QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS | UCB Pharma, S.A. (BE) | 2012-09-19 | — | — | EP | disclosed |
| EP-2432784-A1 | FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS | UCB Pharma, S.A. (BE) | 2012-03-28 | — | — | EP | disclosed |
| EP-2396315-A1 | FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS | UCB Pharma, S.A. (BE) | 2011-12-21 | — | — | EP | disclosed |
| WO-2011058113-A1 | FUSED BICYCLIC PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011058110-A1 | QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011058111-A1 | AMINOPURINE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2011-05-19 | — | — | WO | disclosed |
| WO-2010133836-A1 | FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2010-11-25 | — | — | WO | disclosed |
| WO-2010092340-A1 | FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2010-08-19 | — | — | WO | disclosed |