Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | USP5 | P45974 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL988029 | 0.83 | ACHE (0.47) | KIF11HTTNOS3NOS1NOS2 | |
| SCHEMBL11075911 | 0.83 | CYP2C19 (0.54) | ALDH1A1CYP2D6LMNACYP1A2CYP2C19 | |
| SCHEMBL523877 | 0.83 | GABBR2 (0.59) | CYP2C9GABBR2GABBR1CYP2D6LMNA | |
| SCHEMBL11079784 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP2D6LMNACYP1A2 | |
| SCHEMBL11084494 | 0.79 | ALOX5 (0.46) | ALDH1A1CYP2D6CYP1A2MEN1KMT2A | |
| SCHEMBL11080280 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CYP2C9GABBR2GABBR1CYP2D6 | |
| SCHEMBL11085363 | 0.79 | GABBR2 (0.49) | ALDH1A1GABBR2GABBR1 | |
| SCHEMBL11082949 | 0.79 | SLC6A4 (0.47) | ALDH1A1NOS3NOS1 | |
| SCHEMBL11071292 | 0.79 | L3MBTL1 (0.61) | ALDH1A1CYP2D6CYP1A2CYP2C19FNTA | |
| SCHEMBL9105247 | 0.78 | ALDH1A1 (0.63) | ALDH1A1GABBR2GABBR1CYP2D6LMNA |
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 |