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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 7/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3394506 | 0.92 | ACHE (0.34) | ACHECNR2MEN1LMNACYP1A2 | |
| SCHEMBL3423371 | 0.87 | CNR2 (0.41) | ACHECNR2MEN1LMNAMAPT | |
| SCHEMBL3394724 | 0.86 | ACHE (0.53) | ACHECNR2SMN1; SMN2CNR1PTGS2 | |
| SCHEMBL3426006 | 0.86 | ACHE (0.46) | ACHEMEN1MAPTKMT2ASMN1; SMN2 | |
| Bromide SCHEMBL3399159 | 0.85 | ACHE (0.45) | ACHEMEN1LMNACYP1A2CYP3A4 | |
| SCHEMBL3396330 | 0.84 | ACHE (0.34) | ACHELMNAKMT2ASMN1; SMN2 | |
| SCHEMBL3396235 | 0.78 | CNR2 (0.43) | ACHECNR2MEN1GAAMAPT | |
| SCHEMBL3427251 | 0.78 | CNR2 (0.38) | ACHECNR2MEN1LMNAGAA | |
| SCHEMBL3399516 | 0.77 | CNR2 (0.45) | ACHECNR2MEN1LMNAGAA | |
| SCHEMBL3398018 | 0.77 | ACHE (0.48) | ACHECNR2MEN1HTTKMT2A |
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 2 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 | 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 |