Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.88 |
| ▸ | MMP2 | P08253 | 1/20 | 0.58 |
| ▸ | RARA | P10276 | 3/20 | 0.57 |
| ▸ | RARB | P10826 | 3/20 | 0.57 |
| ▸ | RARG | P13631 | 3/20 | 0.57 |
| ▸ | RXRA | P19793 | 3/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | USP8 | P40818 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8420724 | 0.94 | PTGS2 (0.79) | PTGS2MMP2RARARARBRARG | |
| SCHEMBL8420040 | 0.94 | PTGS2 (0.79) | PTGS2MMP2RARARARBRARG | |
| SCHEMBL8420247 | 0.88 | CYP2C9 (0.71) | PTGS2RARARARBRARGRXRA | |
| SCHEMBL8421924 | 0.86 | PTGS2 (0.72) | PTGS2RARARARBRARGRXRA | |
| SCHEMBL8121677 | 0.86 | PTGS2 (0.88) | PTGS2MMP2CYP2C9PTGS1CA1 | |
| SCHEMBL8421061 | 0.86 | PTGS2 (0.88) | PTGS2RARARARBRARGRXRA | |
| SCHEMBL8420804 | 0.86 | PTGS2 (0.88) | PTGS2RARARARBRARGRXRA | |
| SCHEMBL5215929 | 0.86 | PTGS2 (0.82) | PTGS2RARARARBRARGRXRA | |
| SCHEMBL8421888 | 0.84 | PTGS2 (0.71) | PTGS2PTGS1CA1CA2 | |
| SCHEMBL8421797 | 0.84 | PTGS2 (0.65) | PTGS2RARARARBRARGRXRA |
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 |
|---|---|---|---|---|---|---|---|
| US-5908852-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G. D. SEARLE & CO. (US) | 1999-06-01 | — | — | US | disclosed |
| US-5434178-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G.D. SEARLE & CO. (US) | 1995-07-18 | — | — | US | disclosed |