Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR4 | P51679 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 2/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.37 |
| ▸ | ACP3 | P15309 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.36 |
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 | 0.73 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9749544 | 0.69 | GAA (0.53) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8558223 | 0.69 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12049804 | 0.68 | NR1D1 (0.48) | OPRM1OPRK1OPRD1 | |
| SCHEMBL8553690 | 0.68 | SLC6A3 (0.40) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8553694 | 0.68 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3247871 | 0.67 | ATM (0.58) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5722096 | 0.67 | OPRM1 (0.61) | HSD17B10OPRM1OPRK1OPRD1 | |
| SCHEMBL30066580 | 0.66 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19HIF1A | |
| SCHEMBL5691676 | 0.66 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19HIF1A |
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 |