Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A7 | Q99884 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9513674 | 0.81 | KDM4E (0.59) | SLC6A7KDM4EALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL6977620 | 0.78 | HRH3 (0.48) | KDM4EALDH1A1GBA1 | |
| SCHEMBL13149347 | 0.74 | SLC6A7 (0.92) | SLC6A7KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL9514848 | 0.74 | ALDH1A1 (0.64) | KDM4EALDH1A1MAPK1 | |
| SCHEMBL14276896 | 0.74 | MAP4K4 (0.51) | ALDH1A1L3MBTL1GBA1 | |
| SCHEMBL3582024 | 0.74 | SLC6A7 (0.77) | SLC6A7KDM4ENAMPTALDH1A1MAPK1 | |
| SCHEMBL6975264 | 0.72 | GPR119 (0.54) | ALDH1A1 | |
| SCHEMBL7954884 | 0.72 | SLC6A7 (0.63) | SLC6A7PDK1PDK2PDK3PDK4 | |
| SCHEMBL5253697 | 0.72 | SLC6A7 (0.62) | SLC6A7KDM4ENOS1NOS2ALDH1A1 | |
| SCHEMBL3578476 | 0.72 | SLC6A7 (1.00) | SLC6A7KDM4EALDH1A1L3MBTL1 |
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-0925286-B1 | SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | ASTRAZENECA AB (SE) | 2003-01-02 | — | — | EP | disclosed |
| US-6093718-A | AN OXIDO-SQUALENE CYCLASE INHIBITOR, ANTICHOLESTEROL AGENT FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND LOWERING CHOLESTEROL LEVELS IN BLOOD PLASMA; TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS | ZENECA LIMITED (GB) | 2000-07-25 | — | — | US | disclosed |
| EP-0925286-A1 | SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | ZENECA LIMITED (GB) | 1999-06-30 | — | — | EP | disclosed |
| WO-1998006705-A1 | SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE | ZENECA LIMITED (GB) | 1998-02-19 | — | — | WO | disclosed |