Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | 0.83 | CYP3A4 (0.47) | CYP3A4AHRNR4A1NPC1RAB9A | |
| SCHEMBL8502108 | 0.80 | KMT2A (0.39) | CYP3A4BDKRB1AHRMAPTNR4A1 | |
| SCHEMBL11641876 | 0.77 | ABCB11 (0.46) | BDKRB1MAPTNR4A1LMNAHPGD | |
| SCHEMBL7586143 | 0.75 | KMT2A (0.47) | CYP3A4MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7580853 | 0.75 | CYP3A4 (0.41) | CYP3A4NR4A1KDM4EHPGDNPSR1 | |
| SCHEMBL11501200 | 0.75 | NR4A1 (0.47) | CYP3A4BDKRB1MAPTNR4A1ALDH1A1 | |
| SCHEMBL8502103 | 0.73 | BDKRB1 (0.37) | BDKRB1MAPTNR4A1KDM4EALDH1A1 | |
| SCHEMBL11462832 | 0.73 | LMNA (0.41) | CYP3A4BDKRB1MAPTNR4A1RAB9A | |
| SCHEMBL7583160 | 0.72 | KMT2A (0.42) | CYP3A4MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7583782 | 0.72 | KMT2A (0.42) | CYP3A4MAPTNPC1RAB9ASMN1; SMN2 |
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 |