Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.35 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.35 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.34 |
| ▸ | ACP3 | P15309 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL8558223 | 0.90 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL7775007 | 0.76 | MAPT (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| Bromide SCHEMBL7775033 | 0.74 | MAPT (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL8560261 | 0.71 | MAPT (0.39) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL2464746 | 0.71 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CHRNA7CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL10658965 | 0.69 | KDM4E (0.50) | ALDH1A1HSD17B10CHRNA7CHRNB4CHRNA3 | |
| Iodide SCHEMBL9713862 | 0.69 | CHRNA7 (0.47) | ALDH1A1HSD17B10CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL8553919 | 0.69 | MAPT (0.40) | ALDH1A1CYP1A2CYP2D6CYP2C19HSD17B10 | |
| Hydrochloric Acid SCHEMBL11599165 | 0.68 | KDM4E (0.48) | ALDH1A1HSD17B10CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL8559212 | 0.68 | DNM1 (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0685456-B1 | Bisquaternary ammonium derivatives of 2,2'-dimethyl-1,1'binaphtyl and process for their preparation | HOECHST AG (DE) | 1998-04-15 | — | — | EP | claimed |
| US-5599989-A | Bisquaternary ammonium compounds of 2,2'-dimethyl-1,1'-binaphythyl and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-02-04 | — | — | US | claimed |
| US-5599989-A | Bisquaternary ammonium compounds of 2,2'-dimethyl-1,1'-binaphythyl and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-02-04 | — | — | US | disclosed |