Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 7/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 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 | |
|---|---|---|---|---|
| SCHEMBL27640388 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL27640360 | 0.76 | HTR3E (0.37) | CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL27621326 | 0.75 | HSP90AA1 (0.38) | L3MBTL1 | |
| SCHEMBL27640367 | 0.75 | FAAH (0.38) | L3MBTL1 | |
| SCHEMBL27936335 | 0.74 | CYP2A6 (0.40) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL27621420 | 0.73 | MGLL (0.32) | — | |
| SCHEMBL27621381 | 0.73 | MAPT (0.32) | HTT | |
| SCHEMBL27640346 | 0.73 | F2 (0.33) | CYP2A6CYP2C9CYP2C19HTT | |
| SCHEMBL27621677 | 0.73 | PTGS2 (0.33) | — | |
| SCHEMBL28807398 | 0.71 | ELANE (0.39) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106573901-A | Fumarate analogs and uses thereof in the treatment of an autoimmune disease or an inflammatory disease | 参宿七制药股份有限公司 | 2017-04-19 | — | — | CN | disclosed |