Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 2/20 | 0.73 |
| ▸ | TSHR | P16473 | 4/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | GAA | P10253 | 4/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | CASP1 | P29466 | 2/20 | 0.62 |
| ▸ | CASP7 | P55210 | 1/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7159081 | 0.95 | TSHR (0.70) | CACNA1BTSHRNPSR1MAPTMAPK1 | |
| SCHEMBL7161996 | 0.90 | ADORA3 (0.73) | CACNA1BTSHRNPSR1MAPTMAPK1 | |
| SCHEMBL11868720 | 0.90 | TSHR (0.65) | CACNA1BTSHRNPSR1MAPTMAPK1 | |
| SCHEMBL9401812 | 0.88 | CACNA1B (0.65) | CACNA1BTSHRNPSR1MAPTMAPK1 | |
| SCHEMBL11877364 | 0.88 | TSHR (0.65) | CACNA1BTSHRNPSR1MAPTMAPK1 | |
| SCHEMBL7162770 | 0.88 | CACNA1B (0.66) | CACNA1BTSHRNPSR1MAPTMAPK1 | |
| SCHEMBL1665260 | 0.86 | MAPT (0.68) | CACNA1BTSHRNPSR1MAPTMAPK1 | |
| SCHEMBL11521974 | 0.86 | TSHR (0.62) | CACNA1BTSHRNPSR1MAPTMAPK1 | |
| SCHEMBL29173863 | 0.86 | ADORA3 (0.82) | CACNA1BTSHRMAPTKDM4EALDH1A1 | |
| SCHEMBL27541937 | 0.86 | CACNA1B (0.67) | CACNA1BTSHRNPSR1MAPTMAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0127150-A2 | 2,6-Disubstituted-1,4-dihydropyridine derivative, process for the preparation of the same and pharmaceutical composition comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-12-05 | — | — | EP | claimed |
| US-4988717-A | Optically active 1,4-dihydropyridine esters useful for treating circulatory illnesses | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |
| US-4849433-A | The compound, (⃡)1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-pyridine-3,5-dicarboxylic acid, methyl isobutyl ester, compositions containing same and a method for effecting coronary dilation | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-18 | — | — | US | disclosed |
| US-4579859-A | HYPOTENSIVE AGENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-04-01 | — | — | US | disclosed |
| US-4510310-A | 1,4-Dihydro-2,6-dimethyl-4-(2'-chlorophenyl)-3,5-dicarboxylic acid,methyl or ethyl,trifluoroethyl ester | BAYER AKTIENGESELLSCHAFT (DE) | 1985-04-09 | — | — | US | disclosed |
| EP-0127150-A2 | 2,6-Disubstituted-1,4-dihydropyridine derivative, process for the preparation of the same and pharmaceutical composition comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-12-05 | — | — | EP | disclosed |