Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12668882 | 0.79 | CES1 (0.39) | CYP2A6PTPRC | |
| SCHEMBL544880 | 0.76 | TDO2 (0.42) | KMT2APTGS2TP53ALOX15MAPK1 | |
| SCHEMBL1681771 | 0.73 | PTGS2 (0.65) | PTGS2PTPRCBCAT2 | |
| SCHEMBL519565 | 0.71 | MAPK1 (0.44) | KMT2APTGS2TP53ALOX15MAPK1 | |
| SCHEMBL22157985 | 0.71 | TP53 (0.44) | KMT2APTGS2TP53ALOX15MAPK1 | |
| SCHEMBL1821918 | 0.71 | CYP2A6 (0.60) | KMT2APTGS2TP53ALOX15MAPK1 | |
| SCHEMBL2782853 | 0.71 | PTGS2 (0.68) | PTGS2BCAT2 | |
| SCHEMBL1895888 | 0.71 | CASP3 (0.56) | KMT2APTGS2TP53ALOX15MAPK1 | |
| SCHEMBL498912 | 0.71 | PTGS2 (0.41) | KMT2APTGS2TP53ALOX15MAPK1 | |
| Ammonia Solution, Strong SCHEMBL28994523 | 0.71 | PTGS2 (0.62) | PTGS2PTPRCBCAT2 |
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-3006031-A1 | PYRIDAZINONE COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2016-04-13 | — | — | EP | disclosed |
| EP-2393360-B1 | PYRIDAZINONE COMPOUNDS | TAKEDA PHARMACEUTICAL (JP) | 2015-11-04 | — | — | EP | disclosed |