Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11083248 | 0.86 | GABBR2 (0.51) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11084756 | 0.84 | TAAR1 (0.37) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11079937 | 0.83 | IDO1 (0.46) | CYP2D6CYP3A4NOS3NOS1NOS2 | |
| SCHEMBL11080663 | 0.82 | SLC6A4 (0.46) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11083399 | 0.82 | TDP1 (0.36) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11073428 | 0.82 | GABBR2 (0.50) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11084835 | 0.82 | SLC6A3 (0.42) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11079597 | 0.82 | TAAR1 (0.53) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11079411 | 0.81 | TDP1 (0.41) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL11079216 | 0.80 | TAAR1 (0.57) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 |
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 |