Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4381193 | 0.85 | CYP2A6 (0.54) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL188594 | 0.76 | CYP2A6 (0.50) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL14451018 | 0.76 | CYP2A6 (0.47) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL9787033 | 0.76 | CNR2 (0.49) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL20174709 | 0.76 | CYP2A6 (0.42) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL398176 | 0.76 | ALDH1A1 (0.52) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL13408716 | 0.74 | ERN1 (0.42) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| Hydrochloric Acid SCHEMBL28502920 | 0.74 | CYP2A6 (0.48) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL2824135 | 0.73 | CYP2A6 (0.63) | CYP2A6CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL23555986 | 0.72 | ERN1 (0.54) | CYP2A6CHRM2CHRM4CHRM5CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5126448-A | Anxiolytic agents, learning enhancement | ASAHI KASEI KOGYO K.K. (JP) | 1992-06-30 | — | — | US | disclosed |