Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.62 |
| ▸ | CA2 | P00918 | 10/20 | 0.62 |
| ▸ | CA9 | Q16790 | 8/20 | 0.62 |
| ▸ | CA12 | O43570 | 8/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA3 | P07451 | 1/20 | 0.58 |
| ▸ | CA6 | P23280 | 1/20 | 0.58 |
| ▸ | CA5A | P35218 | 1/20 | 0.58 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.58 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL780498 | 0.85 | NPC1 (0.63) | CA1CA2CA9CA12NPC1 | |
| SCHEMBL6180942 | 0.85 | NPC1 (0.63) | NPC1RAB9AL3MBTL1KMT2A | |
| SCHEMBL5218244 | 0.84 | NPC1 (0.81) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL6024972 | 0.84 | CA2 (0.62) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6026667 | 0.83 | CA1 (0.61) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6168504 | 0.83 | CA2 (0.65) | CA1CA2CA9CA12NPC1 | |
| SCHEMBL20017608 | 0.80 | NPC1 (0.69) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL7866978 | 0.78 | KMT2A (0.60) | NPC1RAB9AL3MBTL1KMT2AKDM4E | |
| SCHEMBL12637601 | 0.78 | NPC1 (0.71) | CA2NPC1RAB9AL3MBTL1MEN1 | |
| SCHEMBL28629860 | 0.78 | NPC1 (0.71) | CA2NPC1RAB9AL3MBTL1MEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1528059-A2 | Substituted isoxazoles for the treatment of inflammation | G.D. Searle LLC (US) | 2005-05-04 | — | — | EP | disclosed |
| US-6670365-B1 | Treatment of inflamation and/or cyclooxygenase-mediated diseases, reduced ulcerogenic effects; 2-phenyl-3-(4-methylsulfonylphenyl)imidazo(1,2-a)pyrimidine | LABORATORIOS S.A.L.V.A.T., S.A. (ES) | 2003-12-30 | — | — | US | disclosed |
| EP-1104762-B1 | SUBSTITUTED IMIDAZO[1,2A]AZINES AS SELECTIVE INHIBITORS OF COX-2 | S A L V A T LAB SA (ES) | 2002-09-18 | — | — | EP | disclosed |
| EP-0809636-B1 | SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2002-09-04 | — | — | EP | disclosed |
| EP-1223167-A2 | Substituted isoxazoles for the treatment of inflammation | G.D. Searle & Co. (US) | 2002-07-17 | — | — | EP | disclosed |
| EP-1104762-A1 | SUBSTITUTED IMIDAZO 1,2A]AZINES AS SELECTIVE INHIBOTORS OF COX-2 | LABORATORIOS S.A.L.V.A.T., S.A. (ES) | 2001-06-06 | — | — | EP | disclosed |
| US-5859257-A | ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS | G. D. SEARLE & CO. (US) | 1999-01-12 | — | — | US | disclosed |
| EP-0809636-A1 | SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996025405-A1 | SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-22 | — | — | WO | disclosed |