Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6203700 | 0.82 | KDM4E (0.45) | ALDH1A1KDM4ECYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16333620 | 0.81 | KMT2A (0.52) | CYP2D6L3MBTL1GSK3B | |
| SCHEMBL4672867 | 0.78 | MEN1 (0.62) | ALDH1A1P2RY14KDM4ECYP3A4CYP2D6 | |
| SCHEMBL29050693 | 0.78 | L3MBTL1 (0.54) | ALDH1A1KDM4EGAAL3MBTL1 | |
| SCHEMBL1553389 | 0.78 | ROCK2 (0.61) | CYP3A4CYP2D6ACVRL1 | |
| Hydrochloric Acid SCHEMBL27414471 | 0.76 | ROCK2 (0.60) | CYP3A4CYP2D6ACVRL1 | |
| SCHEMBL4629627 | 0.75 | MC4R (0.50) | ALDH1A1P2RY14CYP1A2 | |
| SCHEMBL4393712 | 0.74 | ALDH1A1 (0.64) | ALDH1A1L3MBTL1MAPT | |
| SCHEMBL2004792 | 0.73 | ALDH1A1 (0.73) | ALDH1A1KDM4ECYP3A4CYP2D6CYP2C19 | |
| SCHEMBL241357 | 0.72 | HDAC4 (0.53) | ALDH1A1KDM4EGAAL3MBTL1 |
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-1494672-A1 | AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY | Abbott Laboratories (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003086398-A1 | AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY | ABBOTT LABORATORIES (US) | 2003-10-23 | — | — | WO | disclosed |