Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12777902 | 0.84 | CYP2A6 (0.53) | CYP2A6ALDH1A1RAB9AKDM4EPTGS2 | |
| SCHEMBL23775695 | 0.80 | CYP2A6 (0.60) | CYP2A6ALDH1A1RAB9AKDM4EPTGS2 | |
| SCHEMBL16693072 | 0.78 | CYP2A6 (0.47) | CYP2A6ALDH1A1RAB9AKDM4EPTGS2 | |
| SCHEMBL23775920 | 0.78 | CYP2A6 (0.47) | CYP2A6ALDH1A1RAB9AKDM4EPTGS2 | |
| SCHEMBL16693071 | 0.78 | CYP2A6 (0.47) | CYP2A6ALDH1A1RAB9AKDM4EPTGS2 | |
| SCHEMBL4394545 | 0.74 | BCL2L1 (0.56) | CYP2A6ALDH1A1 | |
| SCHEMBL16687253 | 0.74 | CYP2A6 (0.43) | CYP2A6ALDH1A1RAB9AKDM4EPTGS2 | |
| SCHEMBL13036388 | 0.73 | DYRK1A (0.50) | CYP2A6ALDH1A1RAB9AKDM4EPTGS2 | |
| SCHEMBL977774 | 0.70 | CYP2A6 (0.54) | CYP2A6ALDH1A1RAB9AKDM4EPTGS2 | |
| SCHEMBL7313265 | 0.70 | HDAC1 (0.54) | CYP2A6ALDH1A1KDM4EALDH5A1ABAT |
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 3 patents. 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 |
| EP-2049481-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008021851-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |