Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 12/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL11078815 | 0.82 | TAAR1 (0.44) | NISCHCYP3A4CYP2D6TAAR1PNMT | |
| SCHEMBL11085933 | 0.80 | NISCH (0.50) | NISCHSLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL11084183 | 0.78 | TAAR1 (0.32) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL11081591 | 0.78 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL11078310 | 0.74 | LOX (0.38) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL11075225 | 0.74 | SLC6A4 (0.47) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL11609467 | 0.73 | NISCH (0.38) | NISCHCYP3A4CYP2D6TAAR1PNMT | |
| SCHEMBL11084040 | 0.73 | ALOX15 (0.49) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL11084188 | 0.73 | — | — | |
| SCHEMBL11083248 | 0.72 | GABBR2 (0.51) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 |
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 |