Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.38 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL11078514 | 0.84 | SLC6A3 (0.47) | TAAR1CYP2D6RAB9AHIF1ACYP3A4 | |
| SCHEMBL11664457 | 0.81 | TACR1 (0.41) | IDO1TAAR1HTR2ATACR1CYP2D6 | |
| SCHEMBL7153611 | 0.79 | PNMT (0.56) | TAAR1CYP2D6THPOHIF1ACYP3A4 | |
| SCHEMBL16364713 | 0.79 | TAAR1 (0.57) | IDO1TAAR1HTR2ATACR1CYP2D6 | |
| SCHEMBL27557391 | 0.78 | SLC6A3 (0.38) | IDO1TACR1CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL15389542 | 0.76 | CYP3A4 (0.48) | TAAR1HTR2AGABBR2GABBR1CYP3A4 | |
| SCHEMBL11076049 | 0.75 | ALDH1A1 (0.43) | GABBR2GABBR1CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL11625626 | 0.75 | CYP3A4 (0.40) | IDO1TAAR1HTR2ATACR1CYP2D6 | |
| SCHEMBL11080398 | 0.74 | PNMT (0.48) | IDO1TAAR1GABBR2GABBR1CYP3A4 | |
| SCHEMBL11081188 | 0.74 | AOC3 (0.46) | IDO1TAAR1HTR2AGABBR2GABBR1 |
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 |