Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4569063 | 0.81 | GAA (0.40) | ALDH1A1GAAL3MBTL1ACHEAOC3 | |
| SCHEMBL21901289 | 0.81 | AOC3 (0.41) | ALDH1A1GAAL3MBTL1ACHEAOC3 | |
| SCHEMBL16079974 | 0.81 | GAA (0.40) | ALDH1A1GAAL3MBTL1ACHEAOC3 | |
| SCHEMBL11080404 | 0.81 | HDAC4 (0.39) | ALDH1A1CTSLCTSSESR1ESR2 | |
| SCHEMBL14791097 | 0.80 | AOC3 (0.40) | ALDH1A1GAAL3MBTL1ACHEAOC3 | |
| SCHEMBL11076965 | 0.78 | CTSB (0.42) | ALDH1A1L3MBTL1CTSBCTSSESR1 | |
| SCHEMBL13958492 | 0.77 | ACHE (0.50) | ALDH1A1GAAACHEAOC3ACP3 | |
| SCHEMBL8764025 | 0.77 | ESR1 (0.50) | ALDH1A1GAAACHEESR1ESR2 | |
| SCHEMBL11076888 | 0.77 | CTSB (0.36) | CTSBESR1ESR2PBRM1CYP1A2 | |
| SCHEMBL8628368 | 0.77 | PNP (0.41) | ALDH1A1GAAAOC3ACP3LMNA |
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 |