Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.38 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.38 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.38 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL17378840 | 0.85 | CA3 (0.43) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL28746008 | 0.82 | PRKAB2 (0.40) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL18923237 | 0.81 | CA3 (0.41) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL12731992 | 0.79 | ALDH1A1 (0.54) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL15301192 | 0.77 | CASP1 (0.41) | MAPK14PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL29427775 | 0.73 | CA3 (0.52) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL4343525 | 0.73 | CA3 (0.52) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL3157499 | 0.71 | ALDH1A1 (0.60) | CA3CA5ACA14CA5BNR3C2 | |
| SCHEMBL17696933 | 0.71 | CA3 (0.50) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL17378913 | 0.71 | CYP1A2 (0.38) | NR3C2NR3C1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015197028-A1 | COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND USES THEREOF IN MEDICINE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2015-12-30 | — | — | WO | disclosed |