Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6961962 | 0.85 | ALDH1A1 (0.48) | ALDH1A1TSHRADORA3NPSR1NPC1 | |
| SCHEMBL6962273 | 0.82 | ADORA3 (0.58) | ALDH1A1ADORA3CA12CA1CA2 | |
| SCHEMBL6953463 | 0.74 | ALDH1A1 (0.52) | ALDH1A1TSHRNPSR1NPC1KDM4E | |
| SCHEMBL9263843 | 0.74 | CA12 (0.47) | ALDH1A1ADORA3NPSR1NPC1CA12 | |
| SCHEMBL9272237 | 0.70 | ADORA3 (0.39) | ALDH1A1ADORA3CA12CA1CA2 | |
| SCHEMBL10297381 | 0.70 | SMN1; SMN2 (0.45) | ALDH1A1TSHRADORA3NPSR1NPC1 | |
| SCHEMBL8193038 | 0.67 | CACNA1F (0.57) | ALDH1A1TSHRADORA3NPSR1CA12 | |
| SCHEMBL26688061 | 0.66 | KDM4E (0.48) | ALDH1A1NPSR1NPC1CA12CA1 | |
| SCHEMBL5323107 | 0.66 | CA12 (0.72) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL8260846 | 0.65 | NR3C2 (0.61) | NPSR1CACNA1CGAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0325130-B1 | Substituted pyridines | BAYER AG (DE) | 2003-11-05 | — | — | EP | disclosed |
| EP-1123924-A1 | Substituted pyridines as HMG-COA reductase inhibitors | BAYER AG (DE) | 2001-08-16 | — | — | EP | disclosed |
| EP-1123925-A1 | Process for preparation of substituted pyridines | BAYER AG (DE) | 2001-08-16 | — | — | EP | disclosed |
| US-5401746-A | FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE | BAYER AKTIENGESELLSCHAFT (DE) | 1995-03-28 | — | — | US | disclosed |
| US-5169857-A | Anticholesterol agents | BAYER AKTIENGESELLSCHAFT (DE) | 1992-12-08 | — | — | US | disclosed |
| US-5006530-A | Certain 7-[2,6-diisopropyl-4-phenyl-5-lower alkoxymethyl-pyrid-3-yl]-3,5-dihydroxy-6-enoates and derivatives useful for treating circulatory diseases | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-09 | — | — | US | disclosed |
| EP-0325130-A2 | Substituted pyridines | BAYER AG (DE) | 1989-07-26 | — | — | EP | disclosed |