Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.37 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.37 |
| ▸ | GABBR2 | O75899 | 4/20 | 0.35 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL763137 | 0.78 | CACNA2D1 (0.43) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL16070906 | 0.75 | SLC7A5 (0.58) | ADORA3KDM4EUSP2EGFRLCK | |
| SCHEMBL29808980 | 0.74 | GAA (0.50) | ALDH1A1CDC25BCASP6RCE1CA2 | |
| SCHEMBL4168904 | 0.74 | CPA1 (0.56) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL2434720 | 0.74 | GAA (0.50) | ALDH1A1CDC25BCASP6RCE1CA2 | |
| Hydrochloric Acid SCHEMBL30898977 | 0.74 | SLC7A5 (0.57) | ADORA3KDM4EUSP2EGFRLCK | |
| Hydrochloric Acid SCHEMBL30898984 | 0.74 | SLC7A5 (0.57) | ADORA3KDM4EUSP2EGFRLCK | |
| SCHEMBL6459207 | 0.72 | LDHA (0.61) | ALDH1A1CA12CA1CA2CA5A | |
| SCHEMBL762549 | 0.72 | LOXL2 (0.50) | ALDH1A1CA2LMNACYP1A2CYP2C19 | |
| Bicarbonate SCHEMBL9288170 | 0.71 | CES2 (0.44) | ALDH1A1CDC25BCASP6RCE1CA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |