Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15704672 | 0.69 | HTR1B (0.46) | TDP1ALDH1A1GAAKMT2A | |
| SCHEMBL16671703 | 0.67 | TLR8 (0.45) | CYP1A2CYP2D6CYP2C19MAPTTDP1 | |
| SCHEMBL30066580 | 0.67 | ALDH1A1 (0.48) | CYP1A2CYP2C19MAPTTDP1ALDH1A1 | |
| SCHEMBL5691676 | 0.67 | ALDH1A1 (0.48) | CYP1A2CYP2C19MAPTTDP1ALDH1A1 | |
| SCHEMBL10019097 | 0.67 | CYP2D6 (0.43) | CYP1A2CYP2D6CYP2C19MAPTTDP1 | |
| SCHEMBL3674710 | 0.66 | LIPG (0.47) | CYP1A2CYP2D6CYP2C19MAPTTDP1 | |
| SCHEMBL8555160 | 0.65 | MAPT (0.38) | CYP1A2CYP2D6CYP2C19MAPTTDP1 | |
| Hydrochloric Acid SCHEMBL8720793 | 0.65 | CSNK1E (0.40) | ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL7764448 | 0.65 | CSNK1E (0.40) | ALDH1A1KMT2A | |
| SCHEMBL6267184 | 0.65 | CYP2A6 (0.50) | CYP1A2CYP2C19MAPTTDP1ALDH1A1 |
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 |