Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL15704536 | 0.68 | ALDH1A1 (0.45) | SLC6A3SLC6A2SLC6A4CYP1A2CYP2D6 | |
| SCHEMBL8558222 | 0.68 | CCR4 (0.48) | CYP1A2CYP2D6CYP2C19MAPTALDH1A1 | |
| SCHEMBL10019097 | 0.66 | CYP2D6 (0.43) | SLC6A2SLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8555519 | 0.65 | CHRNB2 (0.38) | MAPTALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL8050013 | 0.64 | HSD17B10 (0.50) | CYP1A2CYP2C19MAPTALDH1A1CYP2C9 | |
| SCHEMBL6267184 | 0.64 | CYP2A6 (0.50) | CYP1A2CYP2C19MAPTALDH1A1CYP2C9 | |
| SCHEMBL30066585 | 0.64 | CYP2A6 (0.50) | CYP1A2CYP2C19MAPTALDH1A1CYP2C9 | |
| SCHEMBL30367845 | 0.64 | HSD17B10 (0.50) | CYP1A2CYP2C19MAPTALDH1A1CYP2C9 | |
| SCHEMBL8559211 | 0.63 | CYP1A2 (0.37) | CYP1A2CYP2D6CYP2C19MAPTALDH1A1 | |
| SCHEMBL8558223 | 0.63 | ALDH1A1 (0.37) | CYP1A2CYP2D6CYP2C19MAPTALDH1A1 |
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 |