Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11281910 | 0.77 | IDO1 (0.35) | ESR1ESR2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL11084771 | 0.74 | ESR1 (0.35) | ESR1ESR2DYRK1AMEN1KMT2A | |
| SCHEMBL11097313 | 0.74 | ESR1 (0.35) | ESR1ESR2MEN1KMT2A | |
| SCHEMBL11076889 | 0.74 | ESR1 (0.35) | ESR1ESR2CYP1A2DYRK1AMEN1 | |
| SCHEMBL20032135 | 0.70 | GABRA1 (0.37) | — | |
| SCHEMBL11078403 | 0.69 | IDO1 (0.40) | ESR1ESR2 | |
| SCHEMBL27566456 | 0.69 | HTT (0.33) | — | |
| SCHEMBL11081396 | 0.67 | LOX (0.33) | ESR1ESR2 | |
| SCHEMBL11076609 | 0.67 | ESR1 (0.31) | ESR1ESR2 | |
| SCHEMBL11080725 | 0.67 | PDE4A (0.40) | CYP1A2MEN1KMT2A |
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 |