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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4246252 | 0.88 | KCNH2 (0.52) | KCNH2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL4246458 | 0.88 | KCNH2 (0.52) | KCNH2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL4535932 | 0.88 | KCNH2 (0.52) | KCNH2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL10598262 | 0.83 | KCNH2 (0.45) | KCNH2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL10598903 | 0.83 | KCNH2 (0.45) | KCNH2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL10503573 | 0.82 | LMNA (0.43) | KCNH2CYP2D6CYP2C9CYP2C19LMNA | |
| Bromide SCHEMBL8746093 | 0.82 | KCNH2 (0.51) | KCNH2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL4535938 | 0.80 | KCNH2 (0.41) | KCNH2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL4246257 | 0.80 | KCNH2 (0.41) | KCNH2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL4246464 | 0.80 | KCNH2 (0.41) | KCNH2CYP2D6CYP2C9CYP2C19LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060074001-A1 | Organic activator | MIRACLE GREOGORY S | 2006-04-06 | — | — | US | disclosed |
| EP-1572631-A2 | ORGANIC ACTIVATOR | The Procter & Gamble Company (US) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004060856-A2 | ORGANIC ACTIVATOR | THE PROCTER & GAMBLE COMPANY (US) | 2004-07-22 | — | — | WO | disclosed |