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 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9821069 | 0.92 | L3MBTL1 (0.46) | L3MBTL1CYP2C19CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL10392162 | 0.90 | CYP2C19 (0.47) | L3MBTL1CYP2C19KCNH2CYP2D6CYP2C9 | |
| SCHEMBL9821244 | 0.90 | CYP2C19 (0.47) | L3MBTL1CYP2C19KCNH2CYP2D6CYP2C9 | |
| SCHEMBL23001106 | 0.84 | HTT (0.46) | CYP2D6LMNATSHRHTTALDH1A1 | |
| SCHEMBL10532354 | 0.83 | CYP2C19 (0.47) | L3MBTL1CYP2C19KCNH2CYP2D6CYP2C9 | |
| SCHEMBL10391802 | 0.82 | CYP2C19 (0.49) | L3MBTL1CYP2C19CYP2D6CYP2C9LMNA | |
| SCHEMBL8986462 | 0.81 | KCNH2 (0.57) | CYP2C19KCNH2CYP2D6CYP2C9LMNA | |
| SCHEMBL331519 | 0.81 | KCNH2 (0.57) | CYP2C19KCNH2CYP2D6CYP2C9LMNA | |
| SCHEMBL17180042 | 0.81 | KCNH2 (0.57) | CYP2C19KCNH2CYP2D6CYP2C9LMNA | |
| Didecyldimethylammonium SCHEMBL330540 | 0.81 | KCNH2 (0.57) | CYP2C19KCNH2CYP2D6CYP2C9LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0410976-A4 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | — | 1991-10-16 | — | — | EP | disclosed |
| EP-0410976-A1 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | GAF CHEMICALS CORPORATION (US) | 1991-02-06 | — | — | EP | disclosed |
| WO-1989010358-A1 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | GAF CHEMICALS CORPORATION (US) | 1989-11-02 | — | — | WO | disclosed |