Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11085320 | 0.89 | KDM4E (0.42) | KDM4ETSHRDHFR | |
| SCHEMBL11084499 | 0.88 | TP53 (0.55) | CYP3A4TP53KDM4EALDH1A1CYP2D6 | |
| SCHEMBL11080697 | 0.85 | AOC3 (0.54) | CYP3A4KDM4ECYP2D6MAPK1AOC3 | |
| SCHEMBL11081698 | 0.83 | BCHE (0.53) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11083337 | 0.82 | KDM4E (0.43) | CYP3A4KDM4EALDH1A1CYP2D6AOC3 | |
| SCHEMBL11076513 | 0.81 | NQO1 (0.47) | ALDH1A1TSHR | |
| SCHEMBL11625734 | 0.80 | TP53 (0.50) | CYP3A4TP53KDM4EALDH1A1CYP2D6 | |
| SCHEMBL7628013 | 0.79 | HIF1A (0.59) | CYP3A4TP53KDM4EALDH1A1CYP2D6 | |
| Hydrochloric Acid SCHEMBL11418040 | 0.78 | HIF1A (0.60) | CYP3A4TP53KDM4EALDH1A1CYP2D6 | |
| SCHEMBL12251506 | 0.77 | TP53 (0.53) | CYP3A4TP53KDM4EALDH1A1CYP2D6 |
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 3 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 |