Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.54 |
| ▸ | CA1 | P00915 | 9/20 | 0.54 |
| ▸ | CA9 | Q16790 | 9/20 | 0.54 |
| ▸ | CA12 | O43570 | 5/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.54 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6025710 | 0.83 | MAOA (0.56) | CA2CA1CA9CA12CA7 | |
| SCHEMBL6025295 | 0.83 | CA1 (0.53) | CA2CA1CA9CA12CA7 | |
| SCHEMBL8549601 | 0.81 | CES2 (0.61) | CES2CES1ALDH1A1PARP1GAA | |
| SCHEMBL27455801 | 0.77 | CA2 (0.47) | CA2CA1CA9CA12CA7 | |
| SCHEMBL7847640 | 0.77 | CES2 (0.49) | CES2CES1ALDH1A1PARP1GAA | |
| Bromide SCHEMBL6285189 | 0.76 | CES2 (0.51) | CES2CES1ALDH1A1PARP1TSHR | |
| SCHEMBL7214803 | 0.76 | PTGS2 (0.51) | CA2CA1CA9CA12CA7 | |
| SCHEMBL7214638 | 0.74 | CA2 (0.55) | CA2CA1CA9CA12CA7 | |
| SCHEMBL3362925 | 0.72 | CES2 (0.61) | CES2CES1PARP1CHRNB2SLC6A2 | |
| SCHEMBL7220270 | 0.72 | CA2 (0.56) | CA2CA1CA9CA12CA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |