Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA4 | P22748 | 4/20 | 0.42 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9118587 | 0.95 | PTGS2 (0.43) | PTGS2PTGS1CA2CA1CA4 | |
| SCHEMBL9117683 | 0.95 | PTGS2 (0.43) | PTGS2PTGS1CA2CA1CA4 | |
| SCHEMBL9119641 | 0.93 | PTGS2 (0.45) | PTGS2PTGS1CA2CA1CA4 | |
| SCHEMBL9116501 | 0.88 | PTGS2 (0.43) | PTGS2PTGS1CA2CA1CA4 | |
| SCHEMBL9117988 | 0.88 | PTGS2 (0.43) | PTGS2PTGS1CA2CA1CA4 | |
| SCHEMBL9117198 | 0.88 | PTGS2 (0.58) | PTGS2PTGS1 | |
| SCHEMBL9118062 | 0.85 | PTGS2 (0.53) | PTGS2PTGS1CA2CA1CA4 | |
| SCHEMBL9117134 | 0.85 | PTGS2 (0.54) | PTGS2PTGS1CA2CA1CA4 | |
| SCHEMBL9117673 | 0.83 | PTGS2 (0.52) | PTGS2PTGS1CNR2 | |
| SCHEMBL9118585 | 0.83 | PTGS2 (0.52) | PTGS2PTGS1CNR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | claimed |
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |