Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.58 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | 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 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 7/20 | 0.40 |
| ▸ | CA1 | P00915 | 7/20 | 0.40 |
| ▸ | CA2 | P00918 | 7/20 | 0.40 |
| ▸ | CA9 | Q16790 | 7/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7780642 | 0.92 | PTGS2 (0.56) | PTGS2PTGS1LMNACYP3A4CHRNA7 | |
| SCHEMBL7773228 | 0.91 | PTGS2 (0.55) | PTGS2PTGS1CHRNA7CA12CA1 | |
| SCHEMBL7779927 | 0.91 | PTGS2 (0.48) | PTGS2PTGS1LMNACYP3A4CYP2C9 | |
| SCHEMBL7779404 | 0.90 | PTGS2 (0.49) | PTGS2PTGS1HTR7HTR1AHTR2A | |
| SCHEMBL7780730 | 0.89 | PTGS2 (0.54) | PTGS2PTGS1HTR7HTR1AHTR2A | |
| SCHEMBL7779396 | 0.89 | PTGS2 (0.54) | PTGS2PTGS1HTR7HTR1AHTR2A | |
| SCHEMBL7777321 | 0.86 | PTGS2 (0.47) | PTGS2PTGS1HTR7HTR1AHTR2A | |
| SCHEMBL8630521 | 0.86 | PTGS1 (0.45) | PTGS2PTGS1HTR7HTR1AHTR2A | |
| SCHEMBL7779401 | 0.84 | PTGS2 (0.54) | PTGS2PTGS1LMNACYP3A4CHRNA7 | |
| SCHEMBL7779966 | 0.83 | PTGS2 (0.48) | PTGS2PTGS1LMNACYP3A4CYP2C9 |
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 |