Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.47 |
| ▸ | CA2 | P00918 | 9/20 | 0.46 |
| ▸ | CA7 | P43166 | 4/20 | 0.46 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 6/20 | 0.41 |
| ▸ | CA12 | O43570 | 6/20 | 0.41 |
| ▸ | CA9 | Q16790 | 6/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8421921 | 0.92 | CA2 (0.44) | PTGS2PTGS1CA2CA7PTGER1 | |
| SCHEMBL8688487 | 0.85 | PTGS2 (0.65) | PTGS2PTGS1CA2CA7CA1 | |
| SCHEMBL8693719 | 0.82 | PTGS2 (0.55) | PTGS2PTGS1CA2CA7CA1 | |
| SCHEMBL8693630 | 0.82 | PTGS2 (0.46) | PTGS2PTGS1CA2CA7CA1 | |
| SCHEMBL8689138 | 0.82 | PTGS2 (0.55) | PTGS2PTGS1CA2CA7CA1 | |
| SCHEMBL8688504 | 0.82 | PTGS2 (0.44) | PTGS2PTGS1CA2CA7CA1 | |
| SCHEMBL7924378 | 0.82 | PTGS2 (0.53) | PTGS2PTGS1 | |
| SCHEMBL8423893 | 0.81 | CNR1 (0.41) | PTGS2PTGS1CA2CA7PTGER1 | |
| SCHEMBL8424012 | 0.80 | PTGS1 (0.42) | PTGS2PTGS1CA2CA7PTGER1 | |
| SCHEMBL8423990 | 0.80 | CNR1 (0.40) | PTGS2PTGS1CA2CA7PTGER1 |
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-1443967-A1 | CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION | Novartis AG (CH) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003039599-A1 | CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION | NOVARTIS AG (CH) | 2003-05-15 | — | — | WO | disclosed |
| US-5908852-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G. D. SEARLE & CO. (US) | 1999-06-01 | — | — | US | disclosed |