Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7583539 | 0.84 | CYP3A4 (0.42) | CYP3A4MEN1NPC1RAB9AKMT2A | |
| SCHEMBL8505640 | 0.81 | — | — | |
| SCHEMBL7589686 | 0.74 | CYP3A4 (0.44) | CYP3A4KMT2ATHRATHRB | |
| SCHEMBL8505637 | 0.73 | IDO1 (0.35) | MEN1KMT2A | |
| SCHEMBL7584819 | 0.72 | ADRB2 (0.39) | CYP3A4MEN1KMT2A | |
| SCHEMBL7583085 | 0.72 | CYP3A4 (0.45) | CYP3A4MEN1KMT2ATHRATHRB | |
| SCHEMBL7582260 | 0.72 | CYP3A4 (0.42) | CYP3A4THRATHRBMRGPRX4 | |
| SCHEMBL7587071 | 0.71 | CYP3A4 (0.42) | CYP3A4KMT2ATHRATHRB | |
| SCHEMBL7585660 | 0.71 | ADRB2 (0.44) | CYP3A4MEN1RAB9AKMT2A | |
| SCHEMBL7580853 | 0.69 | CYP3A4 (0.41) | CYP3A4 |
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 |