Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.39 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11076821 | 0.88 | ALOX15 (0.42) | CYP1A2CYP2C9CYP2C19HTR2CHTR2B | |
| SCHEMBL11078299 | 0.87 | ALDH1A1 (0.53) | CYP1A2CYP2C19HTR2CHTR2BKDM4E | |
| SCHEMBL2903384 | 0.79 | L3MBTL1 (0.55) | CYP1A2CYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL11072867 | 0.79 | TNF (0.47) | HTR2BKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL11078734 | 0.79 | POLB (0.51) | ALDH1A1MAPTL3MBTL1NPSR1GAA | |
| Hydrochloric Acid SCHEMBL21879697 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTR2CHTR2B | |
| SCHEMBL11085344 | 0.78 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19HTR2CHTR2B | |
| SCHEMBL23095838 | 0.78 | PPARG (0.46) | CYP1A2CYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL22500372 | 0.76 | L3MBTL1 (0.60) | CYP1A2CYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL10511897 | 0.76 | L3MBTL1 (0.44) | CYP1A2CYP2C9CYP2C19KDM4EALDH1A1 |
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 |