Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11082671 | 0.89 | MAOA (0.45) | MAOAMAOBARMAP1LC3BMAP1LC3A | |
| SCHEMBL11071975 | 0.75 | AR (0.45) | MAOAMAOBCYP3A4ARTSHR | |
| SCHEMBL11079776 | 0.75 | MAOA (0.40) | MAOAMAOBMAP1LC3BMAP1LC3ALMNA | |
| SCHEMBL13459732 | 0.74 | MAOA (0.46) | MAOAMAOBARMAP1LC3BMAP1LC3A | |
| SCHEMBL11113015 | 0.73 | NOS3 (0.42) | SLC6A3CYP2D6SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL11077814 | 0.73 | PTGS2 (0.43) | MAOAMAOBRAB9ALMNAGAA | |
| SCHEMBL11085320 | 0.73 | KDM4E (0.42) | ADRB2ADRB1ADRB3TSHRKDM4E | |
| SCHEMBL3390734 | 0.73 | MAOA (0.41) | MAOAMAOBCYP3A4ARHIF1A | |
| SCHEMBL1710869 | 0.73 | MAOA (0.41) | MAOAMAOBCYP3A4ARHIF1A | |
| SCHEMBL11073780 | 0.73 | SLC6A3 (0.48) | SLC6A3CYP2D6SLC6A2SLC6A4CYP3A4 |
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 |