Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Butylscopolamine. 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 | 6/20 | 0.94 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.73 |
| ▸ | BLM | P54132 | 6/20 | 0.96 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.96 |
| ▸ | LMNA | P02545 | 2/20 | 0.96 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.94 |
| ▸ | TSHR | P16473 | 2/20 | 0.94 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.94 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.94 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.75 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Butylscopolamine SCHEMBL5028833 | 0.99 | BLM (0.98) | BLMPMP22LMNACHRM2CHRM1 | |
| Butylscopolamine SCHEMBL29373202 | 0.98 | BLM (1.00) | BLMPMP22LMNACHRM2CHRM1 | |
| Butylscopolamine SCHEMBL2441812 | 0.98 | BLM (1.00) | BLMPMP22LMNACHRM2CHRM1 | |
| Butylscopolamine SCHEMBL1650352 | 0.98 | BLM (1.00) | BLMPMP22LMNACHRM2CHRM1 | |
| Butylscopolamine SCHEMBL25292 | 0.98 | BLM (1.00) | BLMPMP22LMNACHRM2CHRM1 | |
| Butylscopolamine SCHEMBL25291 | 0.98 | BLM (1.00) | BLMPMP22LMNACHRM2CHRM1 | |
| Butylscopolamine SCHEMBL14672547 | 0.97 | CHRM2 (1.00) | BLMPMP22LMNACHRM2CHRM1 | |
| Butylscopolamine SCHEMBL29643439 | 0.97 | CHRM2 (1.00) | BLMPMP22LMNACHRM2CHRM1 | |
| Butylscopolamine SCHEMBL2446869 | 0.97 | CHRM2 (1.00) | BLMPMP22LMNACHRM2CHRM1 | |
| Butylscopolamine SCHEMBL16168163 | 0.97 | CHRM2 (1.00) | BLMPMP22LMNACHRM2CHRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4668684-A | Combination of flupirtin and anticholinergic acting spasmolytic | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1987-05-26 | — | — | US | disclosed |