Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.47 |
| ▸ | CES1 | P23141 | 4/20 | 0.47 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11086841 | 0.86 | CES2 (0.47) | CES2CES1DPP9 | |
| SCHEMBL5354523 | 0.84 | CES2 (0.50) | CES2CES1DPP9IDO1TDO2 | |
| SCHEMBL9160661 | 0.83 | CES2 (0.45) | CES2CES1DPP9PKMIDO1 | |
| SCHEMBL10506034 | 0.78 | GAA (0.47) | CES2CES1PKMCYP2D6KCNN4 | |
| SCHEMBL30986311 | 0.76 | CES2 (0.49) | CES2CES1IDO1TDO2CYP3A4 | |
| SCHEMBL11074557 | 0.75 | CYP3A4 (0.45) | CES2CES1IDO1TDO2CYP3A4 | |
| SCHEMBL8411824 | 0.75 | CES2 (0.46) | CES2CES1PKMIDO1TDO2 | |
| SCHEMBL1115202 | 0.74 | CES2 (0.50) | CES2CES1DPP9IDO1TDO2 | |
| SCHEMBL29658770 | 0.74 | CES2 (0.64) | CES2CES1IDO1TDO2CYP3A4 | |
| SCHEMBL5348191 | 0.74 | CES2 (0.64) | CES2CES1IDO1TDO2CYP3A4 |
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 |