Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | GAA | P10253 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27446618 | 0.79 | ALDH1A1 (0.43) | ALDH1A1GAAL3MBTL1LMNAKMT2A | |
| SCHEMBL23879238 | 0.78 | ALDH1A1 (0.73) | ALDH1A1GAAL3MBTL1ESR1LMNA | |
| SCHEMBL30452159 | 0.78 | ALDH1A1 (0.73) | ALDH1A1GAAL3MBTL1ESR1LMNA | |
| SCHEMBL23879259 | 0.76 | GAA (0.43) | ALDH1A1GAAL3MBTL1LMNAKDM4E | |
| SCHEMBL30452188 | 0.76 | GAA (0.43) | ALDH1A1GAAL3MBTL1LMNAKDM4E | |
| SCHEMBL146510 | 0.72 | ESR1 (0.56) | ALDH1A1GAAESR1ADRA2AADRA2B | |
| SCHEMBL2600116 | 0.71 | ALDH1A1 (0.46) | ALDH1A1GAAL3MBTL1LMNAKMT2A | |
| SCHEMBL28752820 | 0.69 | SLC6A2 (0.42) | ALDH1A1GAAL3MBTL1ESR1LMNA | |
| SCHEMBL31405028 | 0.69 | ALDH1A1 (0.44) | ALDH1A1GAAL3MBTL1LMNAKMT2A | |
| SCHEMBL8505132 | 0.68 | ADRA2A (0.37) | ALDH1A1GAAESR1LMNAADRA2A |
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 |