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 | 6/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTR5A | P47898 | 1/20 | 0.37 |
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 | 0.90 | ACHE (0.51) | ACHEALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL3394576 | 0.89 | ACHE (0.50) | ACHEALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL3397193 | 0.88 | MAPT (0.50) | ACHELMNAKDM4EALDH1A1KMT2A | |
| SCHEMBL3395718 | 0.88 | ACHE (0.49) | ACHEHTR6KMT2AMAPTMEN1 | |
| SCHEMBL3424151 | 0.86 | HTR6 (0.40) | ACHEADRB1HTR6LMNAKDM4E | |
| SCHEMBL3427528 | 0.85 | ACHE (0.54) | ACHEADRB1HTR6ALDH1A1HTR5A | |
| Bromide SCHEMBL3396121 | 0.84 | ACHE (0.53) | ACHEADRB1HTR6ALDH1A1HTR5A | |
| SCHEMBL3393911 | 0.82 | HTR6 (0.38) | ACHEADRB1HTR6LMNAKDM4E | |
| SCHEMBL3425990 | 0.78 | CNR2 (0.47) | ACHELMNAALDH1A1KMT2AMAPT | |
| SCHEMBL3399611 | 0.77 | ACHE (0.56) | ACHELMNAALDH1A1KMT2AMAPT |
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 |