Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 11/20 | 0.64 |
| ▸ | CA2 | P00918 | 11/20 | 0.64 |
| ▸ | CA12 | O43570 | 8/20 | 0.64 |
| ▸ | CA9 | Q16790 | 8/20 | 0.64 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.48 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.48 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.48 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7772921 | 0.89 | CA12 (0.47) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL8629421 | 0.86 | CA12 (0.47) | CA1CA2CA12CA9KMT2A | |
| SCHEMBL7779453 | 0.85 | CA1 (0.61) | CA1CA2CA12CA9CA7 | |
| SCHEMBL16057183 | 0.80 | CA1 (1.00) | CA1CA2CA12CA9ABCC9 | |
| SCHEMBL7777526 | 0.80 | PTGS2 (0.52) | CA1CA2CA12CA9CA7 | |
| SCHEMBL7777551 | 0.78 | CA1 (0.61) | CA1CA2CA12CA9ABCC9 | |
| SCHEMBL7780654 | 0.78 | PTGS2 (0.62) | — | |
| SCHEMBL7773285 | 0.77 | CA1 (0.60) | CA1CA2CA12CA9CA7 | |
| SCHEMBL7780478 | 0.76 | CA1 (0.66) | CA1CA2CA12CA9CA7 | |
| SCHEMBL7780061 | 0.76 | CA12 (0.56) | CA1CA2CA12CA9CA7 |
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 |