Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP3A5 | P20815 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GPX4 | P36969 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL325153 | 0.93 | CYP3A4 (0.48) | CYP3A4CYP3A5ALDH1A1SLC6A9TSHR | |
| SCHEMBL323776 | 0.85 | CYP3A4 (0.61) | CYP3A4CYP3A5ALDH1A1SLC6A9TSHR | |
| SCHEMBL323778 | 0.79 | CHRM2 (0.58) | CYP3A4CYP3A5ALDH1A1SLC6A9KDM4E | |
| SCHEMBL12503222 | 0.76 | CYP2D6 (0.47) | CYP3A4ALDH1A1SLC6A9KDM4ETSHR | |
| SCHEMBL324172 | 0.75 | CYP2D6 (0.67) | SLC6A9TSHRGPX4CYP2D6CYP19A1 | |
| SCHEMBL327686 | 0.74 | CYP2D6 (0.43) | ALDH1A1KDM4ETSHRCYP2D6CYP19A1 | |
| SCHEMBL325002 | 0.74 | ALDH1A1 (0.47) | ALDH1A1SLC6A9KDM4ETSHRGPX4 | |
| SCHEMBL324677 | 0.67 | ALDH1A1 (0.61) | ALDH1A1KDM4EL3MBTL1CYP2C19TDP1 | |
| SCHEMBL323141 | 0.65 | SLC6A9 (0.38) | CYP3A4SLC6A9KDM4ETSHRCYP2D6 | |
| SCHEMBL16769462 | 0.64 | SLC6A9 (0.62) | CYP3A4ALDH1A1SLC6A9KDM4ETSHR |
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 |