Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bephenium. 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 | 3/20 | 0.57 |
| ▸ | CHRM1 known ✓ | P11229 | 3/20 | 0.57 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.57 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.56 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.56 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.56 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 3/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.57 |
| ▸ | HTR2A | P28223 | 3/20 | 0.57 |
| ▸ | HTR2C | P28335 | 3/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Bephenium SCHEMBL44590 | 0.98 | CHRM2 (0.58) | SMN1; SMN2ALDH1A1LMNACYP3A4HTT | |
| Bephenium SCHEMBL9118297 | 0.96 | HTT (0.58) | SMN1; SMN2ALDH1A1LMNACYP3A4HTT | |
| SCHEMBL9180609 | 0.89 | DNM1 (0.59) | SMN1; SMN2ALDH1A1LMNACYP3A4HTT | |
| SCHEMBL9324544 | 0.88 | SMN1; SMN2 (0.70) | SMN1; SMN2ALDH1A1LMNACYP3A4HTT | |
| Hydrochloric Acid SCHEMBL9179821 | 0.88 | MEN1 (0.60) | SMN1; SMN2ALDH1A1LMNACYP3A4HTT | |
| Hydrochloric Acid SCHEMBL5156049 | 0.87 | SMN1; SMN2 (0.70) | SMN1; SMN2ALDH1A1LMNACYP3A4HTT | |
| SCHEMBL9539266 | 0.82 | ALOX5 (0.54) | SMN1; SMN2ALDH1A1LMNACYP3A4HTT | |
| SCHEMBL9187376 | 0.82 | CHRM2 (0.50) | SMN1; SMN2ALDH1A1LMNACYP3A4HTT | |
| SCHEMBL24465407 | 0.81 | CHRNA7 (0.65) | SMN1; SMN2ALDH1A1LMNACYP3A4HTT | |
| Bromide SCHEMBL2355283 | 0.80 | DNM1 (0.68) | SMN1; SMN2ALDH1A1LMNACYP3A4HTT |
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-1993002040-A1 | ETHER-CONTAINING QUATERNARY AMMONIUM SALTS | EASTMAN KODAK COMPANY (US) | 1993-02-04 | — | — | WO | 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 |
| US-5126225-A | Lower fusion temperatures, improved adhesion to paper | EASTMAN KODAK COMPANY (US) | 1992-06-30 | — | — | US | disclosed |