Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | THRB | P10828 | 3/20 | 0.37 |
| ▸ | THRA | P10827 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7582450 | 0.89 | PDE4A (0.38) | ALDH1A1THRBTHRACYP1A2CYP2C19 | |
| SCHEMBL7584819 | 0.88 | ADRB2 (0.39) | ALDH1A1CYP1A2CYP2C19HPGDPDE4A | |
| SCHEMBL7590521 | 0.83 | HPGD (0.48) | ALDH1A1CYP1A2CYP2C19HPGDCYP2D6 | |
| SCHEMBL7585660 | 0.82 | ADRB2 (0.44) | ALDH1A1HPGDPDE4APDE4BPDE4C | |
| SCHEMBL8504905 | 0.79 | ALDH1A1 (0.40) | ALDH1A1THRBCYP1A2CYP2C19HPGD | |
| SCHEMBL7583126 | 0.78 | ADRB2 (0.39) | ALDH1A1THRBHPGDCYP3A4TSHR | |
| SCHEMBL7586348 | 0.77 | PYGL (0.41) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL7276846 | 0.76 | PDE4A (0.45) | THRBTHRACYP1A2CYP2C19HPGD | |
| Hydrochloric Acid SCHEMBL7274487 | 0.75 | PDE4A (0.44) | THRBTHRACYP1A2CYP2C19HPGD | |
| SCHEMBL5367001 | 0.74 | MAPT (0.45) | ALDH1A1HPGDPDE4APDE4BPDE4C |
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-0810218-B1 | 6-Benzyl-2H-pyridazin-3-one derivatives,their preparation and their use as inhibitors of prostaglandin G/H synthase I and II (COX I and COX II) | HOFFMANN LA ROCHE (CH) | 2002-12-04 | — | — | EP | disclosed |
| EP-0810218-A1 | 6-Benzyl-2H-pyridazin-3-one derivatives,their preparation and their use as inhibitors of prostaglandin G/H synthase I and II (COX I and COX II) | F. HOFFMANN-LA ROCHE AG (CH) | 1997-12-03 | — | — | EP | disclosed |