Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 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 | |
|---|---|---|---|---|
| SCHEMBL3863226 | 1.00 | PTGS2 (0.42) | PTGS2CHRNA7PTGS1CA1CA2 | |
| SCHEMBL3863350 | 0.91 | PTGS2 (0.43) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL3866671 | 0.90 | PTGS2 (0.42) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL6439571 | 0.90 | PTGS2 (0.42) | PTGS2PTGS1EDNRBEDNRA | |
| SCHEMBL3864964 | 0.86 | CA12 (0.46) | PTGS2CHRNA7PTGS1CA1CA2 | |
| SCHEMBL6438715 | 0.80 | PTGS2 (0.41) | PTGS2PTGS1 | |
| SCHEMBL6439628 | 0.78 | PTGS2 (0.45) | PTGS2PTGS1 | |
| SCHEMBL8602526 | 0.78 | PTGS2 (0.47) | PTGS2CHRNA7PTGS1CA1CA2 | |
| SCHEMBL6439532 | 0.77 | PTGDR2 (0.41) | PTGS2PTGS1EDNRBEDNRA | |
| SCHEMBL6441773 | 0.77 | PTGS2 (0.40) | PTGS2PTGS1CA1CA2CA9 |
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-1534683-A4 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-08-24 | — | — | EP | disclosed |
| EP-1534683-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004002409-A2 | CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-08 | — | — | WO | disclosed |