Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | LDHB | P07195 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7779465 | 1.00 | MAPK14 (0.45) | MAPK14CA12CA9CA1CA2 | |
| SCHEMBL7779780 | 0.90 | IKBKB (0.46) | MAPK14CA12CA9CA1CA2 | |
| SCHEMBL7773321 | 0.90 | IKBKB (0.46) | MAPK14CA12CA9CA1CA2 | |
| SCHEMBL8166784 | 0.89 | KMT2A (0.52) | CA12CA9CA1CA2PTGS2 | |
| SCHEMBL7777656 | 0.89 | PTGS2 (0.46) | MAPK14CA12CA9PTGS2PTGS1 | |
| SCHEMBL7773091 | 0.89 | PTGS2 (0.46) | MAPK14CA12CA9PTGS2PTGS1 | |
| SCHEMBL8179845 | 0.88 | PTGS2 (0.55) | CA12CA9CA1CA2PTGS2 | |
| SCHEMBL7799176 | 0.87 | CA12 (0.47) | MAPK14CA12CA9CA1CA2 | |
| SCHEMBL7779964 | 0.87 | MAPK14 (0.43) | MAPK14CA12CA9CA1CA2 | |
| SCHEMBL7780594 | 0.87 | BRAF (0.44) | MAPK14CA12CA9CA1CA2 |
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 10 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 | claimed |
| EP-1127878-A1 | 3,4 - substituted pyrazoles for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2001-08-29 | — | — | EP | claimed |
| US-6028072-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | claimed |
| EP-0772597-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | claimed |
| WO-1996003385-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | claimed |
| 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 |
| WO-1996003385-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | disclosed |