Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 4/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9760040 | 0.85 | HTR1A (0.46) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL9760672 | 0.83 | CYP2C9 (0.50) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL9760252 | 0.81 | HTR1A (0.58) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL9760257 | 0.81 | HTR1A (0.58) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| Fumaric Acid SCHEMBL9760005 | 0.80 | HTR1A (0.54) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| Fumaric Acid SCHEMBL9760020 | 0.80 | HTR1A (0.54) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL9761225 | 0.78 | CACNA1C (0.46) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL9759993 | 0.77 | CYP2C9 (0.52) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL9761425 | 0.77 | TBXA2R (0.59) | CACNA1CHTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL9760067 | 0.77 | TBXA2R (0.36) | 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-5026863-A | Medicinal products in racemic or enantiomorph form; calcium channel blockers. hypotensive agents, cardiovascular disorders | ADIR ET COMPAGNIE (FR) | 1991-06-25 | — | — | US | disclosed |
| US-4983740-A | Multistep; from 2- 2-/2-chloroethoxy/ethoxy!ethanol and potassium phthalimide | ADIR ET COMPAGNIE (FR) | 1991-01-08 | — | — | US | disclosed |
| US-4870091-A | CALCIUM CHANNEL BLOCKERS | ADIR ET CIE (FR) | 1989-09-26 | — | — | US | disclosed |