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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | TERT | O14746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | C5AR1 | P21730 | 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 | |
|---|---|---|---|---|
| SCHEMBL1001565 | 0.84 | KDM4E (0.46) | KDM4EALDH1A1NPSR1RXFP1SMN1; SMN2 | |
| SCHEMBL10371735 | 0.83 | MEN1 (0.44) | KDM4EALDH1A1SMN1; SMN2PKMHPGD | |
| SCHEMBL1656260 | 0.81 | ALDH1A1 (0.41) | KDM4EALDH1A1NPSR1RXFP1SMN1; SMN2 | |
| SCHEMBL3993627 | 0.80 | ACHE (0.43) | KDM4EALDH1A1NPSR1SMN1; SMN2PKM | |
| SCHEMBL2335965 | 0.80 | KDM4E (0.39) | KDM4EALDH1A1NPSR1RXFP1SMN1; SMN2 | |
| SCHEMBL4848699 | 0.79 | LMNA (0.45) | KDM4EALDH1A1NPSR1RXFP1SMN1; SMN2 | |
| Water SCHEMBL4610904 | 0.79 | ACHE (0.43) | KDM4EALDH1A1NPSR1SMN1; SMN2PKM | |
| Water SCHEMBL7556226 | 0.78 | LMNA (0.44) | KDM4EALDH1A1NPSR1RXFP1SMN1; SMN2 | |
| SCHEMBL6265657 | 0.78 | KDM4E (0.47) | KDM4EALDH1A1NPSR1SMN1; SMN2PKM | |
| SCHEMBL1002355 | 0.78 | ALDH1A1 (0.39) | KDM4EALDH1A1NPSR1RXFP1SMN1; SMN2 |
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 |