Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.36 |
| ▸ | PGR | P06401 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12804197 | 0.81 | LOXL2 (0.46) | CYP2A6LOXL2GAASIRT1NR3C1 | |
| SCHEMBL28220569 | 0.78 | CYP2A6 (0.53) | CYP2A6KEAP1LOXL2MAPTKDM4E | |
| SCHEMBL6252581 | 0.78 | CYP2A6 (0.58) | CYP2A6KEAP1LOXL2MAPTKDM4E | |
| SCHEMBL3578511 | 0.78 | CYP2A6 (0.53) | CYP2A6KEAP1LOXL2MAPTKDM4E | |
| SCHEMBL28414980 | 0.78 | LOXL2 (0.58) | LOXL2NR3C1PGRNR3C2HRH4 | |
| SCHEMBL28258093 | 0.77 | CYP2A6 (0.44) | CYP2A6LOXL2KIF11ARSIRT1 | |
| SCHEMBL12804457 | 0.77 | NR3C1 (0.50) | MEN1NR3C1PGRNR3C2L3MBTL1 | |
| SCHEMBL8181089 | 0.76 | HRH3 (0.48) | KDM4EKIF11TDP1ALDH1A1HPGD | |
| SCHEMBL1663549 | 0.75 | CYP2A6 (0.50) | CYP2A6KEAP1LOXL2MAPTKDM4E | |
| SCHEMBL6252222 | 0.75 | CYP2A6 (0.55) | CYP2A6KEAP1LOXL2MAPTKDM4E |
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-2012131031-A1 | NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR | H. LUNDBECK A/S (DK) | 2012-10-04 | — | — | WO | disclosed |