Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.39 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.39 |
| ▸ | PRKAB1 | Q9Y478 | 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 | |
|---|---|---|---|---|
| SCHEMBL2365836 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KDM4ECMA1CYP1A2NPSR1 | |
| SCHEMBL5853381 | 0.81 | CYP2C19 (0.55) | CYP2C19CYP2C9ALDH1A1ALOX5CYP1A2 | |
| SCHEMBL3348715 | 0.80 | KDM1A (0.41) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL7234951 | 0.76 | CYP2C19 (0.70) | CYP2C19CYP2C9KDM4ECYP1A2CYP2D6 | |
| SCHEMBL3327442 | 0.76 | CYP2C19 (0.70) | CYP2C19CYP2C9KDM4ECYP1A2CYP2D6 | |
| SCHEMBL25235536 | 0.74 | HTT (0.51) | ALDH1A1KDM4ECMA1CYP1A2NPSR1 | |
| SCHEMBL1962554 | 0.74 | NOTUM (0.43) | CYP2C19CYP2C9ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL22660964 | 0.74 | CYP2C19 (0.68) | CYP2C19CYP2C9KDM4ECYP1A2CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL28298874 | 0.74 | CYP2C19 (0.68) | CYP2C19CYP2C9KDM4ECYP1A2CYP2D6 | |
| SCHEMBL8239483 | 0.72 | ALDH1A1 (0.40) | ALDH1A1KDM4ENPSR1SMN1; SMN2CA12 |
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-2010042030-A1 | ASPARTYL PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2010-04-15 | — | — | WO | disclosed |