Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.42 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL9809460 | 0.93 | MAPT (0.47) | MAPTMAPK1ALDH1A1GAAKDM4E | |
| SCHEMBL9809492 | 0.91 | MAPT (0.44) | MAPTMAPK1ALDH1A1GAAKDM4E | |
| SCHEMBL7434965 | 0.88 | MAPT (0.42) | MAPTMAPK1ALDH1A1GAAKDM4E | |
| SCHEMBL7428398 | 0.87 | ADORA3 (0.54) | MAPTMAPK1ALDH1A1CACNA1FCACNA1D | |
| SCHEMBL7432120 | 0.85 | KDM4E (0.50) | MAPTMAPK1ALDH1A1GAAKDM4E | |
| SCHEMBL7433647 | 0.85 | ADORA3 (0.47) | MAPTMAPK1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL7427970 | 0.83 | CACNA1C (0.56) | MAPTMAPK1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL10516016 | 0.82 | ADORA3 (0.47) | MAPTMAPK1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL7435874 | 0.82 | ADORA3 (0.54) | MAPTMAPK1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9809421 | 0.80 | KDM4E (0.50) | MAPTMAPK1ALDH1A1GAAKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1988005043-A1 | NEW ARALKYL-1,4-DIHYDROPYRIDINES, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1988-07-14 | — | — | WO | claimed |
| EP-0272693-A2 | New aralkyl-1,4-dihydropyridines, a method for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-06-29 | — | — | EP | claimed |
| US-5075324-A | ARALKYL-1,4-DIHYDROPYRIDINES, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1991-12-24 | — | — | US | disclosed |
| WO-1988005043-A1 | NEW ARALKYL-1,4-DIHYDROPYRIDINES, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1988-07-14 | — | — | WO | disclosed |
| EP-0272693-A2 | New aralkyl-1,4-dihydropyridines, a method for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-06-29 | — | — | EP | disclosed |