Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 6/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | BCR | P11274 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2105176 | 0.94 | CYP2C19 (0.45) | CYP2C19ENPP3ENPP1HTR6PKM | |
| SCHEMBL16023210 | 0.81 | CA1 (0.47) | HTR6PKMKDM4EALDH1A1GAA | |
| SCHEMBL25278649 | 0.81 | CA1 (0.47) | HTR6PKMKDM4EALDH1A1GAA | |
| SCHEMBL16050462 | 0.79 | CYP2C19 (0.45) | CYP2C19ENPP3ENPP1HTR6PKM | |
| SCHEMBL1050296 | 0.79 | CYP2C19 (0.45) | CYP2C19ENPP3ENPP1HTR6PKM | |
| SCHEMBL2253631 | 0.79 | SRC (0.40) | CYP2C19HTR6PKMMETALDH1A1 | |
| SCHEMBL2104972 | 0.76 | CYP2C19 (0.42) | CYP2C19ENPP3ENPP1HTR6PKM | |
| SCHEMBL27815784 | 0.76 | CYP2C19 (0.42) | CYP2C19ENPP3ENPP1HTR6PKM | |
| SCHEMBL2237471 | 0.75 | LMNA (0.51) | CYP2C19ENPP3ENPP1HTR6PKM | |
| SCHEMBL20508781 | 0.74 | HTT (0.43) | CYP2C19HTR6PKMSMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-102143746-A | CDK modulators | EXELIXIS INC | 2011-08-03 | — | — | CN | disclosed |