Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Atropine. 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 | 4/20 | 0.58 |
| ▸ | CHRM1 known ✓ | P11229 | 4/20 | 0.58 |
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.58 |
| ▸ | HTR2C | P28335 | 2/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.58 |
| ▸ | BLM | P54132 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | HRH1 | P35367 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | SLC22A1 | O15245 | 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 | |
|---|---|---|---|---|
| Atropine SCHEMBL5079572 | 1.00 | MAPT (0.64) | MAPTALDH1A1CHRM2CHRM5CHRM1 | |
| Ipratropium SCHEMBL117888 | 0.87 | CHRM2 (0.60) | MAPTALDH1A1CHRM2CHRM5CHRM1 | |
| Ipratropium SCHEMBL2167530 | 0.86 | CHRM2 (0.60) | MAPTALDH1A1CHRM2CHRM5CHRM1 | |
| Ipratropium SCHEMBL27974717 | 0.86 | CHRM2 (0.60) | MAPTALDH1A1CHRM2CHRM5CHRM1 | |
| Ipratropium SCHEMBL29400593 | 0.86 | CHRM2 (0.60) | MAPTALDH1A1CHRM2CHRM5CHRM1 | |
| Ipratropium SCHEMBL28223580 | 0.83 | CHRM2 (0.64) | CHRM2CHRM5CHRM1CHRM3CHRM4 | |
| Ipratropium SCHEMBL2169666 | 0.83 | CHRM2 (0.64) | CHRM2CHRM5CHRM1CHRM3CHRM4 | |
| Ipratropium SCHEMBL2166848 | 0.83 | CHRM2 (0.63) | CHRM2CHRM5CHRM1CHRM3CHRM4 | |
| Ipratropium SCHEMBL4231044 | 0.83 | CHRM2 (0.63) | CHRM2CHRM5CHRM1CHRM3CHRM4 | |
| Ipratropium SCHEMBL28250221 | 0.83 | CHRM2 (0.63) | CHRM2CHRM5CHRM1CHRM3CHRM4 |
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-20080199623-A1 | ANTIMICROBIAL COMPOSITIONS CONTAINING COLLOIDS OF OLIGODYNAMIC MATERIALS | C.R. BARD. INC. (US) | 2008-08-21 | — | — | US | disclosed |