Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | GCK | P35557 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29636120 | 0.83 | PLAU (0.43) | ALDH1A1L3MBTL1RAB9ANPC1PDE5A | |
| SCHEMBL507177 | 0.83 | PLAU (0.43) | ALDH1A1L3MBTL1RAB9ANPC1PDE5A | |
| Hydrochloric Acid SCHEMBL10582119 | 0.82 | PLAU (0.42) | ALDH1A1L3MBTL1KDM4ERAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL11091243 | 0.80 | GRM5 (0.45) | ALDH1A1L3MBTL1KDM4EMAPTPDE5A | |
| SCHEMBL30851780 | 0.79 | SLC40A1 (0.37) | MAPT | |
| SCHEMBL30852205 | 0.79 | TRPV4 (0.41) | KDM4ERAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL27312778 | 0.79 | TRPV4 (0.41) | KDM4ERAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL27493710 | 0.79 | GRM5 (0.44) | ALDH1A1KDM4ERAB9ANPC1MAPT | |
| SCHEMBL30852196 | 0.77 | CACNA1H (0.39) | ALDH1A1L3MBTL1KDM4ERAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL30851795 | 0.77 | SLC40A1 (0.36) | MAPT |
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-0271059-B1 | 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-10-20 | — | — | EP | disclosed |
| US-4971984-A | Cardiovascular disorders, hypotensive agints | BEEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1990-11-20 | — | — | US | disclosed |
| EP-0271059-A1 | 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-06-15 | — | — | EP | disclosed |