Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.39 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.39 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.39 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | CACNG7 | P62955 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 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 | |
|---|---|---|---|---|
| SCHEMBL8422143 | 0.94 | PTGS2 (0.48) | PTGS2CA1CA2CA9CYP2C9 | |
| SCHEMBL8423923 | 0.94 | PTGS2 (0.48) | PTGS2CA1CA2CA9CYP2C9 | |
| SCHEMBL8422373 | 0.86 | CYP2C9 (0.55) | PTGS2CA1CA2CA9CYP2C9 | |
| SCHEMBL8423066 | 0.86 | MEN1 (0.45) | PTGS2CYP2C9PTGES2MMP2 | |
| SCHEMBL8423874 | 0.85 | CYP2C9 (0.49) | PTGS2CA1CA2CA9CYP2C9 | |
| SCHEMBL8423857 | 0.85 | MEN1 (0.44) | PTGS2CA1CA2CA9CYP2C9 | |
| SCHEMBL8693648 | 0.84 | PTGS2 (0.67) | PTGS2CA1CA2CA9PTGES2 | |
| SCHEMBL8637681 | 0.84 | PDPK1 (0.54) | PTGS2CA1CA2CA9CYP2C9 | |
| SCHEMBL8421778 | 0.84 | PTGS2 (0.56) | PTGS2CYP2C9 | |
| SCHEMBL8421860 | 0.84 | CYP2C9 (0.48) | PTGS2CA1CA2CA9CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5908852-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G. D. SEARLE & CO. (US) | 1999-06-01 | — | — | US | disclosed |