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 | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4078041 | 0.83 | CYP2C9 (0.38) | CYP2C9ALDH1A1KMT2AGAAMAPT | |
| SCHEMBL3731849 | 0.79 | GAA (0.41) | CYP2C9ALDH1A1POLBKMT2AGAA | |
| SCHEMBL14104521 | 0.79 | SMN1; SMN2 (0.32) | SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8350682 | 0.77 | BCHE (0.32) | SMN1; SMN2 | |
| Bromide SCHEMBL4082986 | 0.77 | SMN1; SMN2 (0.35) | SMN1; SMN2 | |
| SCHEMBL3730987 | 0.77 | CYP3A4 (0.39) | CYP2C9ALDH1A1KMT2AGAAMAPT | |
| SCHEMBL3743490 | 0.74 | LMNA (0.37) | CYP2C9ALDH1A1GAAMAPTTLR9 | |
| SCHEMBL3735278 | 0.73 | GBA1 (0.38) | CYP2C9ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL3727017 | 0.73 | GAA (0.39) | KMT2AGAAMAPTTLR9PKM | |
| SCHEMBL3743717 | 0.72 | CYP2C9 (0.39) | CYP2C9ALDH1A1GAAHTTCYP3A4 |
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-2081543-A2 | BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S | Henkel AG & Co. KGaA (DE) | 2009-07-29 | — | — | EP | claimed |
| WO-2008095558-A2 | BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S | HENKEL AG & CO. KGAA (DE) | 2008-08-14 | — | — | WO | claimed |