Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 6/20 | 0.34 |
| ▸ | MAOB | P27338 | 6/20 | 0.34 |
| ▸ | KDM1A | O60341 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11545883 | 0.79 | SLC18A3 (0.39) | SLC18A3SIGMAR1NOS1NOS2TAAR1 | |
| SCHEMBL7068812 | 0.68 | NOS1 (0.40) | SLC18A3SIGMAR1NOS1NOS2TAAR1 | |
| SCHEMBL6311085 | 0.66 | NOS1 (0.45) | SLC18A3SIGMAR1NOS1NOS2TAAR1 | |
| SCHEMBL11292416 | 0.66 | NOS1 (0.45) | SLC18A3SIGMAR1NOS1NOS2TAAR1 | |
| SCHEMBL11083683 | 0.65 | NOS2 (0.50) | SLC18A3SIGMAR1NOS1NOS2TAAR1 | |
| SCHEMBL3389545 | 0.65 | NOS1 (0.46) | SLC18A3NOS1NOS2TAAR1MAOA | |
| SCHEMBL1749974 | 0.64 | NOS1 (0.44) | SLC18A3SIGMAR1NOS1NOS2TAAR1 | |
| SCHEMBL7070256 | 0.64 | SLC18A3 (0.45) | SLC18A3SIGMAR1MAOAMAOBKDM1A | |
| SCHEMBL4528355 | 0.64 | SLC18A3 (0.45) | SLC18A3SIGMAR1MAOAMAOBKDM1A | |
| SCHEMBL10784842 | 0.63 | — | — |
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 |