Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.31 |
| ▸ | SELE | P16581 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL6826408 | 0.83 | ALDH1A1 (0.31) | ALDH1A1DPP4 | |
| SCHEMBL6829494 | 0.81 | CYP2A6 (0.37) | CYP2A6ALDH1A1KDM4EPOLBGAA | |
| SCHEMBL6829741 | 0.73 | ALDH1A1 (0.36) | CYP2A6ALDH1A1KDM4EPOLBGAA | |
| SCHEMBL5366910 | 0.71 | ALDH1A1 (0.41) | CYP2A6ALDH1A1KDM4EPOLBGAA | |
| SCHEMBL12932468 | 0.68 | ALDH1A1 (0.43) | CYP2A6ALDH1A1KDM4EPOLBGAA | |
| SCHEMBL9226050 | 0.67 | DAO (0.45) | CYP2A6ALDH1A1KDM4EPOLBGAA | |
| SCHEMBL9538845 | 0.67 | APP (0.54) | CYP2A6ALDH1A1KDM4EPOLBGAA | |
| SCHEMBL19980405 | 0.67 | HPGD (0.37) | CYP2A6KDM4EHPGDDPP4 | |
| SCHEMBL510781 | 0.67 | PPARG (0.44) | CYP2A6ALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL6924354 | 0.66 | GAA (0.38) | CYP2A6ALDH1A1KDM4EPOLBGAA |
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-2004037808-A1 | 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2004-05-06 | — | — | WO | disclosed |