Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 5/20 | 0.50 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.50 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.50 |
| ▸ | HTR1A | P08908 | 5/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.50 |
| ▸ | DRD3 | P35462 | 5/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.50 |
| ▸ | DRD1 | P21728 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7932819 | 0.85 | PTGS1 (0.69) | PTGS1PTGS2CHRM2HTR1ACHRM1 | |
| Hydrochloric Acid SCHEMBL11614410 | 0.84 | PTGS1 (0.67) | PTGS1PTGS2CHRM2HTR1ACHRM1 | |
| Iodide SCHEMBL11621447 | 0.84 | PTGS1 (0.67) | PTGS1PTGS2CHRM2HTR1ACHRM1 | |
| Bromide SCHEMBL11617962 | 0.84 | PTGS1 (0.67) | PTGS1PTGS2CHRM2HTR1ACHRM1 | |
| Nitric Acid SCHEMBL11621967 | 0.81 | PTGS1 (0.59) | PTGS1PTGS2CHRM2HTR1ACHRM1 | |
| Ammonia Solution, Strong SCHEMBL11612875 | 0.76 | PTGS1 (0.52) | PTGS1PTGS2CHRM2HTR1ACHRM1 | |
| Promethazine SCHEMBL11655557 | 0.75 | CYP2D6 (0.83) | PTGS1PTGS2CHRM2HTR1ACHRM1 | |
| Promethazine SCHEMBL7973600 | 0.74 | LMNA (0.83) | PTGS1PTGS2CHRM2HTR1ACHRM1 | |
| Thiazinamium SCHEMBL29040 | 0.74 | PTGS1 (0.50) | PTGS1PTGS2CHRM2HTR1ACHRM1 | |
| Thiazinamium SCHEMBL29714760 | 0.74 | PTGS1 (0.50) | PTGS1PTGS2CHRM2HTR1ACHRM1 |
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-4097596-A | BRONCHODILATOR AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1978-06-27 | — | — | US | disclosed |