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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | THPO | P40225 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzododecinium SCHEMBL330702 | 0.88 | DNM1 (0.67) | LMNACYP2D6MAPK1CYP3A4THPO | |
| SCHEMBL331203 | 0.88 | DNM1 (0.67) | LMNACYP2D6MAPK1CYP3A4THPO | |
| Cetalkonium SCHEMBL10808292 | 0.88 | DNM1 (0.67) | LMNACYP2D6MAPK1CYP3A4THPO | |
| SCHEMBL331209 | 0.88 | DNM1 (0.67) | LMNACYP2D6MAPK1CYP3A4THPO | |
| SCHEMBL331519 | 0.87 | KCNH2 (0.57) | LMNACYP2D6MAPK1CYP3A4THPO | |
| SCHEMBL17180042 | 0.87 | KCNH2 (0.57) | LMNACYP2D6MAPK1CYP3A4THPO | |
| Didecyldimethylammonium SCHEMBL330540 | 0.87 | KCNH2 (0.57) | LMNACYP2D6MAPK1CYP3A4THPO | |
| SCHEMBL11720120 | 0.87 | KCNH2 (0.57) | LMNACYP2D6MAPK1CYP3A4THPO | |
| SCHEMBL8986462 | 0.87 | KCNH2 (0.57) | LMNACYP2D6MAPK1CYP3A4THPO | |
| Sulfuric Acid SCHEMBL7765908 | 0.87 | DNM1 (0.58) | LMNACYP2D6MAPK1CYP3A4THPO |
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-0825175-B1 | Quaternary ammonium disinfectant | NICCA CHEMICAL CO (JP) | 2001-06-13 | — | — | EP | disclosed |
| EP-0825175-A1 | Quaternary ammonium disinfectant | NICCA CHEMICAL CO., LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |