Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.67 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.67 |
| ▸ | OPRD1 | P41143 | 7/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12503222 | 0.87 | CYP2D6 (0.47) | CYP2D6CYP19A1OPRM1MEN1KMT2A | |
| SCHEMBL1281621 | 0.85 | MEN1 (0.65) | CYP2D6CYP19A1OPRD1OPRM1MEN1 | |
| SCHEMBL323778 | 0.84 | CHRM2 (0.58) | CYP2D6CYP19A1OPRM1MEN1KMT2A | |
| SCHEMBL325002 | 0.84 | ALDH1A1 (0.47) | CYP2D6CYP19A1MEN1KMT2ASLC6A9 | |
| SCHEMBL327686 | 0.82 | CYP2D6 (0.43) | CYP2D6CYP19A1MEN1KMT2ASLC6A2 | |
| SCHEMBL1137956 | 0.81 | CYP2D6 (1.00) | CYP2D6CYP19A1OPRD1OPRM1MEN1 | |
| SCHEMBL323776 | 0.79 | CYP3A4 (0.61) | CYP2D6CYP19A1SLC6A9SLC6A2SLC6A4 | |
| SCHEMBL7101378 | 0.76 | CYP19A1 (0.81) | CYP2D6CYP19A1OPRD1OPRM1MEN1 | |
| Norchlorcyclizine SCHEMBL6556514 | 0.75 | CYP2D6 (0.86) | CYP2D6CYP19A1OPRD1OPRM1MEN1 | |
| Norchlorcyclizine SCHEMBL588655 | 0.75 | CYP2D6 (0.86) | CYP2D6CYP19A1OPRD1OPRM1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590953-A1 | TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Convergence Pharmaceuticals Limited (GB) | 2013-05-15 | — | — | EP | claimed |
| WO-2012004604-A1 | TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Convergence Pharmaceuticals Limited (GB) | 2012-01-12 | — | — | WO | claimed |