Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | KMO | O15229 | 2/20 | 0.47 |
| ▸ | RORB | Q92753 | 3/20 | 0.46 |
| ▸ | RORC | P51449 | 2/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.45 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6801907 | 0.85 | RXRA (0.51) | ALDH1A1KDM4EHPGDHSD17B10CNR2 | |
| SCHEMBL17744870 | 0.84 | MMP2 (0.55) | ALDH1A1KDM4EHPGDHSD17B10KMO | |
| SCHEMBL30086172 | 0.84 | MMP2 (0.55) | ALDH1A1KDM4EHPGDHSD17B10KMO | |
| SCHEMBL30279482 | 0.81 | KDM4E (0.64) | ALDH1A1KDM4EHPGDHSD17B10PTGS1 | |
| SCHEMBL22497505 | 0.81 | KDM4E (0.64) | ALDH1A1KDM4EHPGDHSD17B10PTGS1 | |
| SCHEMBL9188681 | 0.80 | MCL1 (0.57) | ALDH1A1KDM4EHPGDHSD17B10PARP1 | |
| SCHEMBL2935772 | 0.80 | CNR2 (0.52) | ALDH1A1PTGS1CNR2ADORA1KIF11 | |
| SCHEMBL10588475 | 0.79 | RORB (0.56) | ALDH1A1KDM4EHPGDHSD17B10ADORA1 | |
| SCHEMBL4077919 | 0.79 | MMP2 (0.57) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL4724483 | 0.78 | PARP1 (0.59) | ALDH1A1KDM4ECNR2ADORA1RORB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0182569-B1 | Use of 1,6-dimethyl-4-oxo-1,6,7,8,9a-hexahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide for the prevention and treatment of gastrointestinal damages | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1992-01-29 | — | — | EP | disclosed |