Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.61 |
| ▸ | CA2 | P00918 | 8/20 | 0.61 |
| ▸ | CA12 | O43570 | 6/20 | 0.61 |
| ▸ | CA9 | Q16790 | 6/20 | 0.61 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TTK | P33981 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7777323 | 0.89 | PTGS2 (0.45) | CA1CA2CA12CA9IDO1 | |
| SCHEMBL7780396 | 0.85 | CA1 (0.64) | CA1CA2CA12CA9MAPT | |
| SCHEMBL8632183 | 0.85 | F10 (0.47) | MAPTKMT2APOLB | |
| SCHEMBL7780478 | 0.81 | CA1 (0.66) | CA1CA2CA12CA9CA4 | |
| SCHEMBL7779925 | 0.80 | PTGS2 (0.54) | CA1CA2CA12CA9CA4 | |
| SCHEMBL7773285 | 0.80 | CA1 (0.60) | CA1CA2CA12CA9MAPT | |
| SCHEMBL7780061 | 0.79 | CA12 (0.56) | CA1CA2CA12CA9CA4 | |
| Acetylsulfanilamide SCHEMBL359721 | 0.78 | CA1 (1.00) | CA1CA2CA12CA9IDO1 | |
| SCHEMBL7773144 | 0.78 | PTGS2 (0.55) | CA1CA2CA12CA9CA4 | |
| SCHEMBL7780009 | 0.78 | CA2 (0.44) | CA1CA2CA12CA9CA4 |
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 5 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 |
| US-5580985-A | ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION | G. D. SEARLE & CO. (US) | 1996-12-03 | — | — | US | disclosed |
| US-5486534-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1996-01-23 | — | — | US | disclosed |