Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 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 | 0.76 | IDO1 (0.35) | ALOX15ALDH1A1ESR1ESR2 | |
| SCHEMBL11076938 | 0.74 | ALOX15 (0.38) | ALOX15HSP90AA1TLR9ALDH1A1MAPK1 | |
| SCHEMBL11079683 | 0.71 | ESR1 (0.48) | ALDH1A1ESR1ESR2PYCR1 | |
| SCHEMBL1012544 | 0.70 | ERN1 (0.35) | ALDH1A1TDP1PYCR1 | |
| SCHEMBL1012545 | 0.70 | ERN1 (0.35) | ALDH1A1TDP1PYCR1 | |
| SCHEMBL11078403 | 0.69 | IDO1 (0.40) | ALDH1A1MAPK1ESR1ESR2 | |
| SCHEMBL16692497 | 0.68 | PDE4A (0.42) | ALDH1A1TDP1PYCR1 | |
| SCHEMBL11081715 | 0.67 | ESR1 (0.36) | ESR1ESR2 | |
| SCHEMBL11079401 | 0.67 | SMN1; SMN2 (0.37) | ALOX15HSP90AA1TLR9 | |
| SCHEMBL9317556 | 0.66 | GABRA1 (0.44) | ALOX15HSP90AA1TLR9ALDH1A1MAPK1 |
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 |