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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3396235 | 0.93 | CNR2 (0.43) | MAPTKMT2APKMMAPK1NPSR1 | |
| SCHEMBL3399516 | 0.92 | CNR2 (0.45) | MAPTKMT2APKMMAPK1NPSR1 | |
| SCHEMBL3400103 | 0.91 | KMT2A (0.37) | MAPTKMT2APKMMAPK1NPSR1 | |
| SCHEMBL3424151 | 0.90 | HTR6 (0.40) | MAPTKMT2AALDH1A1LMNAMEN1 | |
| SCHEMBL3397193 | 0.85 | MAPT (0.50) | MAPTKMT2APKMMAPK1NPSR1 | |
| Hydrochloric Acid SCHEMBL3396117 | 0.85 | MAPT (0.39) | MAPTKMT2APKMMAPK1NPSR1 | |
| Bromide SCHEMBL3398605 | 0.85 | MAPT (0.39) | MAPTKMT2APKMMAPK1NPSR1 | |
| SCHEMBL3396031 | 0.84 | MCL1 (0.38) | MAPTKMT2AMAPK1GAAALDH1A1 | |
| SCHEMBL3423371 | 0.81 | CNR2 (0.41) | MAPTKMT2AMAPK1ALDH1A1LMNA | |
| SCHEMBL3425990 | 0.80 | CNR2 (0.47) | MAPTKMT2APKMMAPK1NPSR1 |
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 |