Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.59 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | TACR3 | P29371 | 2/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6169356 | 0.97 | PTGS2 (0.56) | PTGS2PTGS1IRAK4CCNE2CDK4 | |
| SCHEMBL6170843 | 0.91 | PTGS2 (0.70) | PTGS2PTGS1CCNE2CDK4CCND1 | |
| SCHEMBL6171370 | 0.91 | PTGS2 (0.70) | PTGS2PTGS1CCNE2CDK4CCND1 | |
| SCHEMBL6172953 | 0.90 | PTGS2 (0.52) | PTGS2PTGS1NR1H2NR1H3 | |
| SCHEMBL6171203 | 0.89 | PTGS2 (0.53) | PTGS2PTGS1NR1H2NR1H3 | |
| SCHEMBL6170450 | 0.88 | PTGS2 (0.52) | PTGS2PTGS1NR1H2NR1H3ALDH1A1 | |
| SCHEMBL6171626 | 0.88 | PTGS2 (0.67) | PTGS2PTGS1TACR1TACR3 | |
| SCHEMBL6172216 | 0.86 | IRAK4 (0.44) | PTGS2PTGS1IRAK4NR1H2NR1H3 | |
| SCHEMBL6171795 | 0.85 | PTGS2 (0.51) | PTGS2PTGS1NR1H2NR1H3 | |
| SCHEMBL6171652 | 0.83 | IRAK4 (0.42) | PTGS2PTGS1IRAK4NR1H2NR1H3 |
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 |