Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.47 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7780067 | 0.91 | PTGS2 (0.46) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL7779625 | 0.90 | PTGS2 (0.51) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL7777906 | 0.89 | PTGS2 (0.54) | PTGS2PTGS1HTR7HTR1AHTR2A | |
| SCHEMBL7773152 | 0.86 | PTGS2 (0.58) | PTGS2PTGS1HTR7HTR1AHTR2A | |
| SCHEMBL7780584 | 0.85 | PTGS2 (0.48) | PTGS2PTGS1HTR7HTR1AHTR2A | |
| SCHEMBL7779901 | 0.85 | PTGS2 (0.54) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8628758 | 0.85 | HTR7 (0.40) | PTGS2PTGS1HTR7HTR1AHTR2A | |
| SCHEMBL7777766 | 0.85 | HTR7 (0.48) | PTGS2PTGS1HTR7HTR1AHTR2A | |
| SCHEMBL7777782 | 0.83 | PTGS2 (0.50) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL7779631 | 0.83 | PTGS2 (0.47) | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0772597-B1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1127878-A1 | 3,4 - substituted pyrazoles for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2001-08-29 | — | — | EP | disclosed |
| US-6028072-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | disclosed |
| EP-0772597-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |
| US-5580985-A | ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION | G. D. SEARLE & CO. (US) | 1996-12-03 | — | — | US | disclosed |
| WO-1996003385-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | disclosed |
| US-5486534-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1996-01-23 | — | — | US | disclosed |