Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.68 |
| ▸ | CA1 | P00915 | 1/20 | 0.68 |
| ▸ | CA2 | P00918 | 1/20 | 0.68 |
| ▸ | CA7 | P43166 | 1/20 | 0.68 |
| ▸ | CA9 | Q16790 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.60 |
| ▸ | KIF11 | P52732 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL19752618 | 1.00 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28346675 | 0.88 | PKM (0.59) | KMT2AADORA3L3MBTL1ADORA2BALDH1A1 | |
| SCHEMBL3394058 | 0.86 | ALDH1A1 (0.71) | MEN1KMT2AADORA3L3MBTL1CYP1A2 | |
| SCHEMBL29531249 | 0.86 | ALDH1A1 (0.71) | MEN1KMT2AADORA3L3MBTL1CYP1A2 | |
| SCHEMBL19752716 | 0.86 | ALDH1A1 (0.71) | MEN1KMT2AADORA3L3MBTL1CYP1A2 | |
| SCHEMBL1227524 | 0.85 | HSD17B10 (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19752680 | 0.85 | HSD17B10 (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10112951 | 0.84 | HSD17B10 (0.76) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5340705 | 0.84 | HSD17B10 (0.75) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19732962 | 0.84 | ALDH1A1 (0.55) | CA12CA1CA2CA7CA9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114740098-B | Application of chiral Cd-MOFs material in resolution of dihydropyrimidinone derivative in high performance liquid chromatography | 兰州大学 | 2023-08-01 | — | — | CN | disclosed |
| CN-112812066-B | Synthesis method of dihydropyrimidinone compound | 宜春学院 | 2023-04-25 | — | — | CN | disclosed |
| CN-114740098-A | Application of chiral Cd-MOFs material in resolution of dihydropyrimidinone derivative in high performance liquid chromatography | 兰州大学 | 2022-07-12 | — | — | CN | disclosed |
| CN-110437100-B | Preparation method and application of novel ionic salicylaldehyde Schiff base zirconium complex | 山西医科大学 | 2022-03-11 | — | — | CN | disclosed |
| CN-112812066-A | Synthesis method of dihydropyrimidinone compounds | 宜春学院 | 2021-05-18 | — | — | CN | disclosed |
| EP-3260446-A1 | ENANTIOSELECTIVE SYNTHESIS OF DIHYDROPYRIMIDINONES AND HEXAHYDROPYRIMIDINONES | Universitat de les Illes Balears (ES) | 2017-12-27 | — | — | EP | disclosed |
| WO-2007101213-A2 | NOVEL 2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINES, BICYCLIC PYRIMIDINE DIONES AND IMIDAZOLIDINE-2,4-DIONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2007-09-07 | — | — | WO | disclosed |