Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Butropium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 6/20 | 0.62 |
| ▸ | CHRM1 known ✓ | P11229 | 4/20 | 0.60 |
| ▸ | CHRM5 known ✓ | P08912 | 3/20 | 0.60 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.60 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.60 |
| ▸ | BLM | P54132 | 4/20 | 0.64 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| Butropium SCHEMBL26023 | 1.00 | BLM (0.64) | BLMCHRM2PABPC1CYP2C19CHRM1 | |
| Butropium SCHEMBL30185784 | 1.00 | BLM (0.64) | BLMCHRM2PABPC1CYP2C19CHRM1 | |
| Butropium SCHEMBL11561521 | 1.00 | BLM (0.64) | BLMCHRM2PABPC1CYP2C19CHRM1 | |
| Butropium SCHEMBL29388793 | 0.99 | CHRM2 (0.63) | BLMCHRM2PABPC1CYP2C19CHRM1 | |
| Bromide SCHEMBL29840597 | 0.88 | BLM (0.77) | BLMCHRM2PABPC1CYP2C19CHRM1 | |
| Xenytropium SCHEMBL29371652 | 0.87 | BLM (0.71) | BLMCHRM2PABPC1CYP2C19CHRM1 | |
| Xenytropium SCHEMBL24707 | 0.87 | BLM (0.71) | BLMCHRM2PABPC1CYP2C19CHRM1 | |
| Xenytropium SCHEMBL29361010 | 0.86 | CHRM2 (0.71) | BLMCHRM2PABPC1CYP2C19CHRM1 | |
| Xenytropium SCHEMBL30428452 | 0.86 | CHRM2 (0.71) | BLMCHRM2PABPC1CYP2C19CHRM1 | |
| SCHEMBL14652328 | 0.81 | CHRM2 (0.77) | BLMCHRM2PABPC1CYP2C19CHRM1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2554184-B1 | PREVENTIVE AND/OR REMEDY FOR HAND AND FOOT SYNDROME | ONO PHARMACEUTICAL CO (JP) | 2016-10-26 | — | — | EP | disclosed |
| US-8729056-B2 | Preventive and/or therapeutic agent of hand-foot syndrome | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-05-20 | — | — | US | disclosed |
| US-20130045956-A1 | PREVENTIVE AND/OR THERAPEUTIC AGENT OF HAND-FOOT SYNDROME | ONO PHARMACEUTICAL CO., LTD. (JP) | 2013-02-21 | — | — | US | disclosed |
| EP-2554184-A1 | PREVENTIVE AND/OR REMEDY FOR HAND AND FOOT SYNDROME | ONO Pharmaceutical Co., Ltd. (JP) | 2013-02-06 | — | — | EP | disclosed |
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |