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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.49 |
| ▸ | CNR2 | P34972 | 11/20 | 0.42 |
| ▸ | CNR1 | P21554 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3398306 | 0.93 | ACHE (0.42) | ACHECNR2CNR1MEN1KMT2A | |
| SCHEMBL3424738 | 0.91 | ACHE (0.48) | ACHECNR2CNR1MEN1KMT2A | |
| SCHEMBL3399226 | 0.88 | ACHE (0.46) | ACHECNR2CNR1MEN1KMT2A | |
| SCHEMBL13749274 | 0.87 | ACHE (0.63) | ACHEMEN1KMT2AL3MBTL1RPS6KA2 | |
| SCHEMBL3424423 | 0.83 | ACHE (0.45) | ACHECNR2CNR1MEN1KMT2A | |
| SCHEMBL3398309 | 0.78 | ACHE (0.40) | ACHEMEN1KMT2APKMKDM4E | |
| SCHEMBL3427251 | 0.78 | CNR2 (0.38) | ACHECNR2CNR1MEN1KMT2A | |
| SCHEMBL3424740 | 0.77 | ACHE (0.45) | ACHEMEN1KMT2APKML3MBTL1 | |
| SCHEMBL3424591 | 0.76 | CNR2 (0.36) | ACHECNR2CNR1MEN1KMT2A | |
| SCHEMBL3421170 | 0.75 | ACHE (0.63) | ACHEMEN1KMT2AMAPK1L3MBTL1 |
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 |