Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.35 |
| ▸ | THRA | P10827 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7589686 | 0.90 | CYP3A4 (0.44) | CYP3A4KMT2AAKR1B1THRATHRB | |
| SCHEMBL7582260 | 0.87 | CYP3A4 (0.42) | CYP3A4MRGPRX4AKR1B1THRATHRB | |
| SCHEMBL7583085 | 0.87 | CYP3A4 (0.45) | CYP3A4MEN1KMT2AAKR1B1THRA | |
| SCHEMBL7587071 | 0.86 | CYP3A4 (0.42) | CYP3A4KMT2AAKR1B1THRATHRB | |
| SCHEMBL7585660 | 0.86 | ADRB2 (0.44) | CYP3A4MEN1KMT2ARAB9AHDAC8 | |
| SCHEMBL7583097 | 0.84 | ALDH1A1 (0.41) | CYP3A4MRGPRX4NPC1RAB9AHDAC1 | |
| SCHEMBL7586216 | 0.84 | CYP3A4 (0.35) | CYP3A4MRGPRX4MEN1KMT2ANPC1 | |
| SCHEMBL7590797 | 0.82 | L3MBTL1 (0.40) | CYP3A4MRGPRX4THRAPOLBMAPT | |
| SCHEMBL7584819 | 0.81 | ADRB2 (0.39) | CYP3A4MEN1KMT2APOLBGAA | |
| SCHEMBL7584283 | 0.79 | GAA (0.40) | CYP3A4MRGPRX4NPC1RAB9ATHRB |
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 |