Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.42 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | CPT2 | P23786 | 1/20 | 0.38 |
| ▸ | CPT1A | P50416 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | EPHB4 | P54760 | 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 | |
|---|---|---|---|---|
| SCHEMBL6172216 | 0.97 | IRAK4 (0.44) | IRAK4PTGS1PTGS2CDK1AOC3 | |
| SCHEMBL8431729 | 0.90 | PTGS1 (0.39) | IRAK4PTGS1PTGS2PDE4ANR1H2 | |
| SCHEMBL6172213 | 0.87 | PTGS2 (0.51) | IRAK4CUL4APTGS1PTGS2 | |
| SCHEMBL6169356 | 0.86 | PTGS2 (0.56) | IRAK4PTGS1PTGS2NR1H2NR1H3 | |
| SCHEMBL6171529 | 0.86 | FFAR2 (0.43) | PTGS1PTGS2PDE4ANR1H2NR1H3 | |
| SCHEMBL6170845 | 0.83 | PTGS2 (0.59) | IRAK4PTGS1PTGS2AOC3NR1H2 | |
| SCHEMBL6169775 | 0.80 | CNR2 (0.44) | PTGS1PTGS2NR1H2NR1H3ACVR1 | |
| SCHEMBL6172953 | 0.79 | PTGS2 (0.52) | PTGS1PTGS2NR1H2NR1H3 | |
| SCHEMBL6170642 | 0.77 | PTGS2 (0.47) | PTGS1PTGS2 | |
| SCHEMBL6171626 | 0.76 | PTGS2 (0.67) | PTGS1PTGS2 |
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 |