Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL3089210 | 0.88 | ALDH1A1 (0.62) | ALDH1A1CYP1A2MEN1KMT2APOLB | |
| SCHEMBL7217079 | 0.87 | CA2 (0.56) | ALDH1A1CYP1A2PTGS2PTGS1KMT2A | |
| SCHEMBL8562014 | 0.82 | EPHX2 (0.53) | AKR1C3PTGS2PTGS1 | |
| SCHEMBL7084244 | 0.82 | EPHX2 (0.53) | AKR1C3PTGS2PTGS1 | |
| SCHEMBL2150940 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CYP1A2MEN1KMT2APOLB | |
| SCHEMBL7836035 | 0.82 | PTGS2 (0.49) | AKR1C3ALDH1A1PTGS2 | |
| SCHEMBL3105019 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CYP1A2MEN1KMT2APOLB | |
| SCHEMBL7221221 | 0.82 | PTGS2 (0.49) | AKR1C3ALDH1A1PTGS2 | |
| SCHEMBL7985890 | 0.82 | AKR1C3 (0.50) | AKR1C3ALDH1A1CYP1A2PTGS2PTGS1 | |
| SCHEMBL6510520 | 0.82 | AKR1C3 (0.53) | AKR1C3ALDH1A1CYP1A2PTGS2PTGS1 |
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 |