Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 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 | |
|---|---|---|---|---|
| SCHEMBL3316068 | 0.87 | CYP1A2 (0.50) | CYP1A2CYP2C19ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL27789562 | 0.79 | KDM4E (0.47) | CYP1A2CYP2C19ALDH1A1ALOX5KDM4E | |
| SCHEMBL27789654 | 0.78 | KDM4E (0.44) | CYP1A2CYP2C19ALDH1A1ALOX5KDM4E | |
| SCHEMBL13398494 | 0.78 | KDM4E (0.46) | CYP1A2CYP2C19ALDH1A1ALOX5KDM4E | |
| SCHEMBL14705607 | 0.74 | PTGS2 (0.39) | ALDH1A1ALOX5KDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL80459 | 0.72 | ALOX5 (0.61) | CYP1A2CYP2C19ALDH1A1ALOX5KDM4E | |
| SCHEMBL4328431 | 0.72 | KDM4A (0.44) | ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD | |
| SCHEMBL13398512 | 0.72 | KDM4E (0.52) | CYP1A2CYP2C19ALDH1A1ALOX5KDM4E | |
| SCHEMBL14705610 | 0.71 | MAPK14 (0.39) | CYP1A2ALDH1A1ALOX5HSD17B10CYP2C9 | |
| SCHEMBL3314567 | 0.71 | TRPM8 (0.53) | CYP1A2CYP2C19ALDH1A1KDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101605784-B | Aza-bridged-ring compound | ASTELLAS PHARMA INC JP | 2013-04-10 | — | — | CN | disclosed |
| CN-101605784-A | Aza-bridged-ring compound | ASTELLAS PHARMA INC (JP) | 2009-12-16 | — | — | CN | disclosed |