Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | 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 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6826430 | 0.81 | CYP2A6 (0.38) | CYP2A6KDM4EPOLBGAAMAPT | |
| SCHEMBL6829741 | 0.72 | ALDH1A1 (0.36) | CYP2A6ACP3KDM4EPOLBGAA | |
| SCHEMBL6922999 | 0.70 | ACP3 (0.36) | CYP2A6ACP3ACHEKDM4EPOLB | |
| SCHEMBL19980405 | 0.69 | HPGD (0.37) | CYP2A6KDM4EHPGDDPP4APP | |
| SCHEMBL28543575 | 0.69 | ACP3 (0.50) | ACP3ACHENPC1RAB9AMAPT | |
| SCHEMBL7010956 | 0.68 | CYP2A6 (0.54) | CYP2A6KDM4EPOLBGAAMAPT | |
| SCHEMBL5366910 | 0.67 | ALDH1A1 (0.41) | CYP2A6KDM4EPOLBGAAMAPT | |
| SCHEMBL928215 | 0.66 | ACHE (0.52) | ACP3ACHENPC1GAAMAPT | |
| SCHEMBL9729373 | 0.65 | ACHE (0.46) | ACP3ACHENPC1GAAALDH1A1 | |
| SCHEMBL2558034 | 0.65 | ACHE (0.46) | ACP3ACHENPC1GAAHPGD |
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 |