Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 8/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL323778 | 0.84 | CHRM2 (0.58) | CYP2D6CYP19A1MEN1KMT2ATSHR | |
| SCHEMBL12503222 | 0.83 | CYP2D6 (0.47) | CYP2D6CYP19A1MEN1KMT2ATSHR | |
| SCHEMBL324172 | 0.82 | CYP2D6 (0.67) | CYP2D6CYP19A1SIGMAR1MEN1KMT2A | |
| SCHEMBL325002 | 0.81 | ALDH1A1 (0.47) | CYP2D6CYP19A1MEN1KMT2ATSHR | |
| SCHEMBL323141 | 0.79 | SLC6A9 (0.38) | CYP2D6CYP19A1TSHRKDM4ENPSR1 | |
| SCHEMBL323776 | 0.79 | CYP3A4 (0.61) | CYP2D6CYP19A1TSHRALDH1A1NPSR1 | |
| SCHEMBL325153 | 0.78 | CYP3A4 (0.48) | CYP2D6CYP19A1TSHRALDH1A1MAPT | |
| SCHEMBL324763 | 0.74 | CYP3A4 (0.45) | CYP2D6CYP19A1TSHRALDH1A1KDM4E | |
| SCHEMBL324760 | 0.69 | ALDH1A1 (0.45) | MEN1KMT2AALDH1A1MAPTKDM4E | |
| SCHEMBL1281621 | 0.68 | MEN1 (0.65) | CYP2D6CYP19A1MEN1KMT2ACYP2C19 |
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 4 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 |
| EP-2590953-A1 | TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Convergence Pharmaceuticals Limited (GB) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004604-A1 | TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Convergence Pharmaceuticals Limited (GB) | 2012-01-12 | — | — | WO | disclosed |