Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11087529 | 0.81 | HDAC4 (0.49) | CES2CES1ALDH1A1EPHX1L3MBTL1 | |
| SCHEMBL7565228 | 0.81 | EEF2K (0.44) | CES2CES1 | |
| SCHEMBL11085363 | 0.79 | GABBR2 (0.49) | DPP9ALDH1A1 | |
| SCHEMBL16430987 | 0.76 | CYP2C19 (0.41) | DPP9NR1I2TRPM8 | |
| SCHEMBL11084618 | 0.75 | ITGB3 (0.40) | ALDH1A1 | |
| SCHEMBL11078097 | 0.75 | ALDH1A1 (0.37) | ALDH1A1EPHX1L3MBTL1 | |
| SCHEMBL11078226 | 0.75 | CES2 (0.46) | CES2CES1ALDH1A1 | |
| SCHEMBL456937 | 0.73 | HDAC4 (0.45) | CES2CES1EPHX1L3MBTL1 | |
| SCHEMBL11081236 | 0.70 | IDO1 (0.41) | CES2CES1 | |
| SCHEMBL22504116 | 0.70 | HDAC4 (0.42) | CES2CES1ALDH1A1EPHX1L3MBTL1 |
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 |