Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.46 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.46 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.46 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.46 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.46 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.46 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18432941 | 0.86 | CYP2C19 (0.51) | BACE1CYP2C19APPSMN1; SMN2KDM4E | |
| SCHEMBL16184211 | 0.86 | CYP2C19 (0.56) | CYP2C19APPSMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL16850583 | 0.85 | LMNA (0.44) | BACE1CYP2C19APPLMNAGAA | |
| SCHEMBL18436561 | 0.85 | CYP2C19 (0.52) | BACE1CYP2C19APPLMNASMN1; SMN2 | |
| SCHEMBL18966013 | 0.85 | LMNA (0.45) | BACE1CYP2C19APPLMNAGAA | |
| SCHEMBL17759335 | 0.83 | GAA (0.44) | BACE1CYP2C19APPLMNAGAA | |
| SCHEMBL9069984 | 0.83 | MAOB (0.48) | BACE1CYP2C19APPLMNAGAA | |
| SCHEMBL2608606 | 0.82 | HSD17B10 (0.66) | BACE1LMNAGAASMN1; SMN2HSD17B10 | |
| SCHEMBL14700512 | 0.82 | HSD17B10 (0.66) | BACE1LMNAGAASMN1; SMN2HSD17B10 | |
| SCHEMBL24018568 | 0.81 | ESR2 (0.63) | BACE1CYP2C19APPGAASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2883934-B1 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2019-11-13 | — | — | EP | disclosed |