Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.43 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.48 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.48 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.45 |
| ▸ | DRD3 | P35462 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9187580 | 0.87 | CHRNB4 (0.47) | CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL3134320 | 0.85 | CA12 (0.49) | CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL11217465 | 0.82 | HTT (0.45) | HTTSMN1; SMN2LMNADRD2DRD3 | |
| SCHEMBL9182123 | 0.80 | CHRNB4 (0.67) | CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL3147865 | 0.79 | KMT2A (0.55) | KMT2AKCNH2HRH3 | |
| SCHEMBL30354180 | 0.78 | ALDH1A1 (0.42) | CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9 | |
| Phosphoric Acid SCHEMBL8154892 | 0.77 | CHRNB4 (0.56) | CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL31120906 | 0.76 | ALDH1A1 (0.49) | HTTSMN1; SMN2LMNAMAPK1DRD2 | |
| Acetylcholine SCHEMBL14840380 | 0.76 | CHRM1 (0.58) | CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9 | |
| SCHEMBL4525396 | 0.76 | ALDH1A1 (0.43) | HTTSMN1; SMN2LMNACYP3A4CYP2D6 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0549773-B1 | ETHER-CONTAINING QUATERNARY AMMONIUM SALTS | EASTMAN KODAK CO (US) | 1995-07-05 | — | — | EP | claimed |
| EP-0549773-A1 | ETHER-CONTAINING QUATERNARY AMMONIUM SALTS. | EASTMAN KODAK CO (US) | 1993-07-07 | — | — | EP | claimed |
| WO-1993002398-A1 | TONERS AND DEVELOPERS CONTAINING ETHER-CONTAINING QUATERNARY AMMONIUM SALTS AS CHARGE CONTROL AGENTS | EASTMAN KODAK COMPANY (US) | 1993-02-04 | — | — | WO | claimed |
| WO-1993002040-A1 | ETHER-CONTAINING QUATERNARY AMMONIUM SALTS | EASTMAN KODAK COMPANY (US) | 1993-02-04 | — | — | WO | claimed |
| US-5126225-A | Lower fusion temperatures, improved adhesion to paper | EASTMAN KODAK COMPANY (US) | 1992-06-30 | — | — | US | claimed |
| EP-0549773-B1 | ETHER-CONTAINING QUATERNARY AMMONIUM SALTS | EASTMAN KODAK CO (US) | 1995-07-05 | — | — | EP | disclosed |
| EP-0549773-A1 | ETHER-CONTAINING QUATERNARY AMMONIUM SALTS. | EASTMAN KODAK CO (US) | 1993-07-07 | — | — | EP | disclosed |
| WO-1993002398-A1 | TONERS AND DEVELOPERS CONTAINING ETHER-CONTAINING QUATERNARY AMMONIUM SALTS AS CHARGE CONTROL AGENTS | EASTMAN KODAK COMPANY (US) | 1993-02-04 | — | — | WO | disclosed |
| WO-1993002040-A1 | ETHER-CONTAINING QUATERNARY AMMONIUM SALTS | EASTMAN KODAK COMPANY (US) | 1993-02-04 | — | — | WO | disclosed |
| US-5126225-A | Lower fusion temperatures, improved adhesion to paper | EASTMAN KODAK COMPANY (US) | 1992-06-30 | — | — | US | disclosed |