Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9809443 | 0.96 | ADORA3 (0.49) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL10614837 | 0.86 | TBXA2R (0.58) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL7437789 | 0.83 | CACNA1D (0.55) | CACNA1CDRD1ADRA1AOPRM1DRD3 | |
| SCHEMBL11520735 | 0.82 | CACNA1C (0.54) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL7433647 | 0.82 | ADORA3 (0.47) | CACNA1CADORA3CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9833019 | 0.82 | CACNA1C (0.64) | CACNA1CTBXA2RSLC6A2ADRA1ADRD3 | |
| SCHEMBL9513012 | 0.81 | CACNA1C (0.53) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL9809509 | 0.81 | CACNA1C (0.51) | CACNA1CDRD1ADRA1AOPRM1DRD3 | |
| SCHEMBL10614840 | 0.80 | ABCC1 (0.63) | CACNA1CADORA3HSD17B10KDM4EALDH1A1 | |
| SCHEMBL10615427 | 0.80 | ADORA3 (0.52) | CACNA1CHTR1AADRA2ACHRM1DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |