Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | FLI1 | Q01543 | 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 | |
|---|---|---|---|---|
| SCHEMBL7584357 | 0.89 | CYP3A4 (0.47) | CYP3A4CYP1A2CYP2C9NPSR1AKR1B1 | |
| SCHEMBL7586143 | 0.85 | KMT2A (0.47) | CYP3A4CYP1A2CYP2C9HPGDALOX15 | |
| SCHEMBL7579534 | 0.77 | CYP3A4 (0.37) | CYP3A4CYP1A2CYP2C9HPGDALOX15 | |
| SCHEMBL7588896 | 0.75 | CYP3A4 (0.42) | CYP3A4HPGDNPSR1KDM4ENR4A1 | |
| SCHEMBL7583160 | 0.72 | KMT2A (0.42) | CYP3A4HPGDALOX15NPSR1AKR1B1 | |
| SCHEMBL7583782 | 0.72 | KMT2A (0.42) | CYP3A4HPGDALOX15NPSR1AKR1B1 | |
| SCHEMBL8904611 | 0.72 | CXCL8 (0.40) | CYP3A4CYP1A2CYP2C9HPGDALOX15 | |
| SCHEMBL7583728 | 0.72 | CYP3A4 (0.40) | CYP3A4CYP2C9AKR1B1NR4A1 | |
| SCHEMBL8504945 | 0.71 | NPBWR1 (0.39) | CYP3A4CYP1A2CYP2C9HPGDALOX15 | |
| SCHEMBL8907153 | 0.70 | ABCB11 (0.42) | CYP3A4CYP1A2CYP2C9HPGDALOX15 |
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 |