Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MDM4 | O15151 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL26922368 | 0.90 | TAAR1 (0.41) | TAAR1HDAC4HDAC8KIF11CYP3A4 | |
| SCHEMBL26922835 | 0.90 | TAAR1 (0.41) | TAAR1HDAC4HDAC8KIF11CYP3A4 | |
| SCHEMBL26922372 | 0.90 | TAAR1 (0.41) | TAAR1HDAC4HDAC8KIF11CYP3A4 | |
| SCHEMBL21610468 | 0.88 | KIF11 (0.40) | TAAR1HDAC4HDAC8KIF11CYP3A4 | |
| SCHEMBL21610470 | 0.88 | KIF11 (0.40) | TAAR1HDAC4HDAC8KIF11CYP3A4 | |
| SCHEMBL11084835 | 0.85 | SLC6A3 (0.42) | TAAR1HDAC4HDAC8KIF11CYP3A4 | |
| SCHEMBL12614581 | 0.83 | TAAR1 (0.61) | TAAR1HDAC4HDAC8KIF11CYP3A4 | |
| SCHEMBL23750204 | 0.82 | GABBR2 (0.49) | HDAC4HDAC8KIF11CYP3A4KDM4E | |
| SCHEMBL23750126 | 0.82 | GABBR2 (0.49) | HDAC4HDAC8KIF11CYP3A4KDM4E | |
| SCHEMBL23750127 | 0.81 | GABBR2 (0.47) | HDAC4HDAC8KIF11CYP3A4KDM4E |
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 |