Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | XDH | P47989 | 2/20 | 0.51 |
| ▸ | TLR4 | O00206 | 1/20 | 0.51 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 8/20 | 0.50 |
| ▸ | RAB9A | P51151 | 8/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11167008 | 0.86 | XDH (0.55) | KDM4EMAPTXDHTLR4NLRP3 | |
| SCHEMBL20663398 | 0.83 | KDM4E (0.53) | KDM4EMAPTXDHTLR4NLRP3 | |
| SCHEMBL18114435 | 0.82 | RAB9A (0.63) | KDM4EMAPTXDHTLR4NLRP3 | |
| SCHEMBL6976559 | 0.81 | DAGLA (0.52) | KDM4EMAPTXDHNPC1RAB9A | |
| SCHEMBL5175392 | 0.77 | ALDH1A1 (0.57) | KDM4EMAPTXDHTLR4NLRP3 | |
| SCHEMBL15450923 | 0.76 | PIK3CA (0.51) | KDM4EMAPTNPC1RAB9AHSD17B10 | |
| SCHEMBL23906456 | 0.75 | MAPT (0.60) | KDM4EMAPTXDHTLR4NLRP3 | |
| SCHEMBL6979706 | 0.75 | XDH (0.46) | KDM4EMAPTXDHTLR4NLRP3 | |
| SCHEMBL5541680 | 0.74 | KDM4E (0.63) | KDM4EMAPTXDHTLR4NLRP3 | |
| SCHEMBL11166473 | 0.73 | MAPT (0.47) | KDM4EMAPTXDHTLR4NLRP3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1006114-B1 | PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM | GRELAN PHARMACEUTICAL CO (JP) | 2003-01-22 | — | — | EP | disclosed |
| US-6136831-A | ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL AGENTS, ENZYME INHIBITORS | GRELAN PHARMACEUTICAL CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-1006114-A1 | PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM | Grelan Pharmaceutical Co., Ltd. (JP) | 2000-06-07 | — | — | EP | disclosed |