Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PGK1 | P00558 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8094206 | 0.90 | PTGS2 (0.51) | KDM4ENPC1ALDH1A1GAAMAPT | |
| SCHEMBL8101824 | 0.89 | CA12 (0.51) | KDM4ENPC1ALDH1A1GAAMAPT | |
| SCHEMBL8776866 | 0.83 | KDM4E (0.43) | KDM4EALDH1A1GAAHPGDPTGS2 | |
| SCHEMBL8776720 | 0.82 | PTGS2 (0.47) | KDM4EPTGS2PTGS1CNR1POLB | |
| SCHEMBL8776752 | 0.80 | CNR1 (0.48) | CNR1AKT1AKT2 | |
| SCHEMBL8776770 | 0.80 | SCN9A (0.45) | KDM4ECNR1POLBAKT1AKT2 | |
| SCHEMBL8776778 | 0.79 | CNR1 (0.41) | KDM4EAURKAPTGS2PTGS1CNR1 | |
| SCHEMBL8776740 | 0.77 | CNR1 (0.52) | CNR1 | |
| SCHEMBL8776824 | 0.77 | CNR1 (0.63) | CNR1 | |
| SCHEMBL8423293 | 0.76 | MAPT (0.49) | KDM4ENPC1ALDH1A1GAAMAPT |
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-0808304-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024584-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-15 | — | — | WO | disclosed |