Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. 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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 13/20 | 0.42 |
| ▸ | CHRM2 known ✓ | P08172 | 9/20 | 0.42 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5473748 | 0.99 | CHRM3 (0.42) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| SCHEMBL2340421 | 0.99 | CHRM3 (0.42) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| SCHEMBL1707214 | 0.99 | CHRM3 (0.42) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Bromide SCHEMBL1996228 | 0.98 | CHRM3 (0.43) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Iodide SCHEMBL5386794 | 0.98 | CHRM3 (0.42) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| SCHEMBL8449813 | 0.98 | CHRM3 (0.42) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| SCHEMBL7142072 | 0.98 | CHRM3 (0.42) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| SCHEMBL7143841 | 0.98 | CHRM3 (0.42) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Bromide SCHEMBL417945 | 0.98 | CHRM3 (0.43) | CHRM3CHRM2KCNH2CHRM4CHRM5 | |
| Bromide SCHEMBL2335688 | 0.98 | CHRM3 (0.43) | CHRM3CHRM2KCNH2CHRM4CHRM5 |
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 |
|---|---|---|---|---|---|---|---|
| US-20170079949-A1 | COMBINATION THERAPY FOR COPD | CHIESI FARM SPA (IT) | 2017-03-23 | — | — | US | disclosed |
| US-20140363384-A1 | COMBINATION THERAPY FOR COPD | CHIESI FARMACEUTICI S.P.A (IT) | 2014-12-11 | — | — | US | disclosed |
| US-20140363383-A1 | AEROSOL FORMULATION FOR COPD | CHIESI FARMACEUTICI S.P.A (IT) | 2014-12-11 | — | — | US | disclosed |
| EP-2515853-B1 | Combination therapy for COPD | CHIESI FARMA SPA (IT) | 2014-03-19 | — | — | EP | disclosed |
| US-20110146677-A1 | AEROSOL FORMULATION FOR COPD | CHIESI FARMACEUTICI S.P.A. (IT) | 2011-06-23 | — | — | US | disclosed |
| US-20110150784-A1 | COMBINATION THERAPY FOR COPD | CHIESI FARMACEUTICI S.P.A. (IT) | 2011-06-23 | — | — | US | disclosed |