Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | WDR5 | P61964 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8559212 | 0.85 | DNM1 (0.46) | MAPTALDH1A1TDP1CYP1A2CYP2C19 | |
| SCHEMBL8553919 | 0.84 | MAPT (0.40) | MAPTCYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL7775007 | 0.83 | MAPT (0.42) | MAPTCYP2A6TSHRALDH1A1HSD17B10 | |
| Bromide SCHEMBL7775033 | 0.81 | MAPT (0.41) | MAPTCYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL12938548 | 0.81 | CYP1A2 (0.52) | MAPTALDH1A1TDP1CYP1A2CYP2C19 | |
| SCHEMBL8555160 | 0.77 | MAPT (0.38) | MAPTCYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL8599722 | 0.75 | HTT (0.36) | MAPTCYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL20734682 | 0.73 | CYP1A2 (0.50) | MAPTCYP2A6TSHRALDH1A1HSD17B10 | |
| SCHEMBL8559161 | 0.72 | DNM1 (0.44) | TSHRALDH1A1HSD17B10TDP1CYP1A2 | |
| SCHEMBL8558223 | 0.72 | ALDH1A1 (0.37) | MAPTCYP2A6TSHRALDH1A1HSD17B10 |
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 |