Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | HCK | P08631 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3944517 | 0.84 | CYP2A6 (0.48) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL18433308 | 0.80 | ALDH1A1 (0.39) | CYP2A6ALDH1A1TSHR | |
| SCHEMBL6978449 | 0.78 | CYP2A6 (0.52) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL6979864 | 0.78 | CYP2A6 (0.52) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL28847036 | 0.78 | CYP2A6 (0.52) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL12025244 | 0.76 | CYP2A6 (0.49) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL9431562 | 0.74 | BCL2L1 (0.56) | CYP2A6ALDH1A1 | |
| SCHEMBL12044609 | 0.74 | CYP2A6 (0.47) | CYP2A6ALDH1A1PIK3CDABL1EGFR | |
| SCHEMBL17669579 | 0.74 | CYP2A6 (0.47) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL2963020 | 0.74 | CYP2A6 (0.53) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A |
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-2011050160-A1 | PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME | BIOGEN IDEC MA INC. (US) | 2011-04-28 | — | — | WO | disclosed |