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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 8/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3396612 | 0.99 | ACHE (0.51) | ACHECNR2CNR1MAPTALDH1A1 | |
| SCHEMBL3395718 | 0.90 | ACHE (0.49) | ACHECNR2CNR1MAPTKMT2A | |
| SCHEMBL3397193 | 0.90 | MAPT (0.50) | ACHEMAPTALDH1A1KMT2AMAPK1 | |
| SCHEMBL3393908 | 0.89 | ACHE (0.48) | ACHECNR2CNR1MAPTALDH1A1 | |
| SCHEMBL3425990 | 0.89 | CNR2 (0.47) | ACHECNR2CNR1MAPTALDH1A1 | |
| SCHEMBL3399516 | 0.85 | CNR2 (0.45) | ACHECNR2CNR1MAPTALDH1A1 | |
| SCHEMBL3423542 | 0.85 | ACHE (0.57) | ACHESNCA | |
| SCHEMBL3396235 | 0.84 | CNR2 (0.43) | ACHECNR2CNR1MAPTALDH1A1 | |
| Bromide SCHEMBL3399233 | 0.83 | ACHE (0.56) | ACHESNCA | |
| SCHEMBL3428046 | 0.83 | ACHE (0.59) | ACHESNCA |
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 |