Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.37 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170449 | 0.91 | PTGS2 (0.63) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6171203 | 0.90 | PTGS2 (0.53) | PTGS2PTGS1MAP3K12NR1H2NR1H3 | |
| SCHEMBL6170845 | 0.88 | PTGS2 (0.59) | PTGS2PTGS1ALDH1A1NR1H2NR1H3 | |
| SCHEMBL6169356 | 0.85 | PTGS2 (0.56) | PTGS2PTGS1NR1H2NR1H3 | |
| SCHEMBL6172953 | 0.84 | PTGS2 (0.52) | PTGS2PTGS1NR1H2NR1H3 | |
| SCHEMBL6171795 | 0.81 | PTGS2 (0.51) | PTGS2PTGS1NR1H2NR1H3 | |
| SCHEMBL6169810 | 0.80 | PTGS2 (0.65) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6171370 | 0.79 | PTGS2 (0.70) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6170843 | 0.79 | PTGS2 (0.70) | PTGS2PTGS1PTGDR2 | |
| SCHEMBL6169601 | 0.78 | PTGS2 (0.58) | PTGS2PTGS1KDM4EHPGDNR1H2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015431-B1 | 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2005-04-20 | — | — | EP | claimed |
| EP-1015431-A1 | 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | Merck Frosst Canada & Co. (CA) | 2000-07-05 | — | — | EP | claimed |
| WO-1999014195-A1 | 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA & CO. (CA) | 1999-03-25 | — | — | WO | claimed |
| EP-1015431-B1 | 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2005-04-20 | — | — | EP | disclosed |
| EP-1015431-A1 | 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | Merck Frosst Canada & Co. (CA) | 2000-07-05 | — | — | EP | disclosed |
| US-6004950-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS; ANALGESIC, ANTIPYRETICS; SIDE EFFECT REDUCTION | MERCK FROSST CANADA, INC. (CA) | 1999-12-21 | — | — | US | disclosed |
| WO-1999014195-A1 | 2-AMINOPYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA & CO. (CA) | 1999-03-25 | — | — | WO | disclosed |