Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.36 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11080175 | 0.82 | CYP2D6 (0.43) | TAAR1NISCHCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10595562 | 0.79 | IDO1 (0.42) | TAAR1HTR2AIDO1CYP3A4CYP2D6 | |
| SCHEMBL8518741 | 0.79 | TAAR1 (0.40) | TAAR1HTR2AIDO1NISCHHTR2C | |
| SCHEMBL7150299 | 0.79 | IDO1 (0.42) | TAAR1HTR2AIDO1CYP3A4CYP2D6 | |
| SCHEMBL556030 | 0.77 | ALDH1A1 (0.30) | TAAR1SLC6A4 | |
| SCHEMBL11080744 | 0.73 | TAAR1 (0.38) | TAAR1HTR2AGABBR2GABBR1IDO1 | |
| SCHEMBL11087564 | 0.73 | — | — | |
| SCHEMBL11086476 | 0.73 | NPSR1 (0.42) | GABBR2GABBR1CYP2D6SLC6A3 | |
| SCHEMBL10507509 | 0.71 | NISCH (0.57) | TAAR1IDO1NISCHHTR2BCYP3A4 | |
| SCHEMBL10507255 | 0.71 | TAAR1 (0.43) | TAAR1HTR2AGABBR2GABBR1IDO1 |
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 |