Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK9 | P45984 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 10/20 | 0.46 |
| ▸ | CA2 | P00918 | 10/20 | 0.46 |
| ▸ | CA4 | P22748 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 6/20 | 0.46 |
| ▸ | CA9 | Q16790 | 6/20 | 0.46 |
| ▸ | LDHA | P00338 | 2/20 | 0.46 |
| ▸ | LDHB | P07195 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL7779899 | 0.91 | PTGS2 (0.49) | MAPK9PTGS2MAPTTDP1AURKA | |
| SCHEMBL7778036 | 0.91 | PTGS2 (0.49) | MAPK9PTGS2CA1CA2CA4 | |
| SCHEMBL7779586 | 0.88 | MAPK9 (0.54) | MAPK9PTGS2CA1CA2CA4 | |
| SCHEMBL7780610 | 0.88 | MAPK9 (0.54) | MAPK9PTGS2CA1CA2CA4 | |
| SCHEMBL7778220 | 0.86 | PTGS2 (0.47) | PTGS2CA1CA2CA4CA12 | |
| SCHEMBL7779408 | 0.85 | MAPK9 (0.52) | MAPK9PTGS2CA1CA2CA4 | |
| SCHEMBL7777303 | 0.85 | MAPK9 (0.52) | MAPK9PTGS2CA1CA2CA4 | |
| SCHEMBL8173979 | 0.83 | CA1 (0.53) | PTGS2CA1CA2CA4CA12 | |
| SCHEMBL7779467 | 0.83 | PTGS2 (0.45) | PTGS2CA1CA2CA4CA7 | |
| SCHEMBL7779610 | 0.83 | PTGS2 (0.50) | PTGS2MAPTTDP1AURKAPOLB |
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 8 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-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | 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 |