Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ECE1 | P42892 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6720564 | 0.79 | — | — | |
| SCHEMBL4074969 | 0.79 | CYP2D6 (0.38) | CYP2D6CYP2C19ALDH1A1HPGD | |
| SCHEMBL13858005 | 0.78 | CYP2D6 (0.39) | CYP2D6CYP2C19 | |
| SCHEMBL2034726 | 0.78 | MMP2 (0.34) | ALDH1A1HPGDMMP2 | |
| SCHEMBL4082501 | 0.75 | CYP2D6 (0.42) | CYP2D6CYP2C19ALDH1A1ECE1HPGD | |
| SCHEMBL12363415 | 0.74 | CASP2 (0.47) | CYP2C19HPGD | |
| SCHEMBL13239676 | 0.74 | MMP2 (0.47) | CYP2D6CYP2C19ALDH1A1HPGDMMP2 | |
| SCHEMBL14509608 | 0.71 | CNR1 (0.43) | ALDH1A1ECE1HPGD | |
| SCHEMBL5072771 | 0.71 | KDM4E (0.38) | ALDH1A1ECE1HPGD | |
| SCHEMBL24391761 | 0.71 | ALDH1A1 (0.45) | CYP2D6CYP2C19ALDH1A1HPGDMMP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1966175-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007068473-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2007-06-21 | — | — | WO | disclosed |