Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 3/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.52 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.52 |
| ▸ | DRD1 | P21728 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.52 |
| ▸ | DRD3 | P35462 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.52 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.52 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9833019 | 0.90 | CACNA1C (0.64) | CACNA1CTBXA2RADRA1ASLC6A3ADORA3 | |
| SCHEMBL9513012 | 0.90 | CACNA1C (0.53) | CACNA1CTBXA2RADRA1ASLC6A3ADORA3 | |
| SCHEMBL7275805 | 0.86 | TBXA2R (0.57) | CACNA1CTBXA2RADRA1ASLC6A3ADORA3 | |
| SCHEMBL10877640 | 0.83 | TBXA2R (0.70) | CACNA1CTBXA2RADRA1ASLC6A3ADORA3 | |
| SCHEMBL11471730 | 0.83 | CACNA1C (0.48) | CACNA1CTBXA2RADRA1ASLC6A3ADORA3 | |
| SCHEMBL7266308 | 0.83 | TBXA2R (0.54) | CACNA1CTBXA2RADRA1ASLC6A3ADORA3 | |
| SCHEMBL7426346 | 0.82 | CACNA1C (0.47) | CACNA1CTBXA2RADRA1ASLC6A3ADORA3 | |
| SCHEMBL10615427 | 0.82 | ADORA3 (0.52) | CACNA1CTBXA2RADRA1ASLC6A3ADORA3 | |
| SCHEMBL7268196 | 0.82 | ADORA3 (0.52) | CACNA1CTBXA2RADRA1ASLC6A3ADORA3 | |
| SCHEMBL7275404 | 0.81 | TBXA2R (0.52) | CACNA1CTBXA2RADRA1ASLC6A3ADORA3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4177278-A | 2-Alkyleneaminodihydropyridines compounds, their production and their medicinal use | BAYER AKTIENGESELLSCHAFT (DE) | 1979-12-04 | — | — | US | disclosed |