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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 13/20 | 0.53 |
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3398018 | 0.91 | ACHE (0.48) | ACHECNR2PTGS2KDM4EALDH1A1 | |
| SCHEMBL3396328 | 0.86 | ACHE (0.38) | ACHECNR2CNR1PTGS2SMN1; SMN2 | |
| SCHEMBL3399124 | 0.86 | ACHE (0.47) | ACHECNR2PTGS2ALDH1A1 | |
| SCHEMBL3422782 | 0.85 | ACHE (0.71) | ACHEPKM | |
| SCHEMBL3399611 | 0.84 | ACHE (0.56) | ACHECNR2PTGS2ALDH1A1TERT | |
| Bromide SCHEMBL3397501 | 0.84 | ACHE (0.69) | ACHEPKM | |
| Hydrochloric Acid SCHEMBL3396105 | 0.84 | ACHE (0.69) | ACHEPKM | |
| Acetic Acid SCHEMBL3393948 | 0.83 | ACHE (0.61) | ACHE | |
| SCHEMBL3398306 | 0.82 | ACHE (0.42) | ACHECNR2CNR1KDM4EALDH1A1 | |
| SCHEMBL3394725 | 0.82 | ACHE (0.47) | ACHEKDM4EALDH1A1PKMHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2245013-A1 | 9-Ý4-(AMINO) PHENYL¨ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS | Henkel AG & Co. KGaA (DE) | 2010-11-03 | — | — | EP | claimed |
| WO-2009103798-A1 | 9-[4-(AMINO) PHENYL] ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS | HENKEL AG & CO. KGAA (DE) | 2009-08-27 | — | — | WO | claimed |
| EP-2245013-A1 | 9-Ý4-(AMINO) PHENYL¨ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS | Henkel AG & Co. KGaA (DE) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009103798-A1 | 9-[4-(AMINO) PHENYL] ACRIDINIUM SALTS AS CATIONIC DIRECT DYES FOR COLORING KERATINOUS FIBERS | HENKEL AG & CO. KGAA (DE) | 2009-08-27 | — | — | WO | disclosed |