Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.47 |
| ▸ | CES1 | P23141 | 4/20 | 0.47 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.45 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.45 |
| ▸ | ITGAL | P20701 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | DCAF1 | Q9Y4B6 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 2/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10506034 | 0.85 | GAA (0.47) | CES2CES1ITGB2ICAM1ITGAL | |
| SCHEMBL11079548 | 0.79 | ITGB2 (0.49) | CES2CES1ITGB2ICAM1ITGAL | |
| SCHEMBL19717557 | 0.79 | ITGB2 (0.43) | CES2CES1ITGB2ICAM1ITGAL | |
| SCHEMBL11078020 | 0.75 | CES2 (0.42) | CES2CES1BCHE | |
| SCHEMBL19716935 | 0.74 | CES2 (0.64) | CES2CES1BCHEGLSGAA | |
| SCHEMBL29658706 | 0.74 | CES2 (0.64) | CES2CES1BCHEGLSGAA | |
| SCHEMBL29115978 | 0.74 | CES2 (0.46) | CES2CES1ITGB2ICAM1ITGAL | |
| SCHEMBL29115980 | 0.74 | CES2 (0.46) | CES2CES1ITGB2ICAM1ITGAL | |
| SCHEMBL11079888 | 0.73 | CES2 (0.43) | CES2CES1ITGB2ICAM1ITGAL | |
| SCHEMBL27504078 | 0.73 | GAA (0.46) | CES2CES1ITGB2ICAM1ITGAL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0024776-B1 | 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES | SYNTEX (U.S.A.) INC. (US) | 1984-12-27 | — | — | EP | disclosed |
| US-4322421-A | 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1982-03-30 | — | — | US | disclosed |
| US-4261995-A | DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE | SYNTEX (U.S.A.) INC. (US) | 1981-04-14 | — | — | US | disclosed |
| EP-0024776-A1 | 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives | SYNTEX (U.S.A.) INC. (US) | 1981-03-11 | — | — | EP | disclosed |