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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 19/20 | 0.60 |
| ▸ | KIF23 | Q02241 | 1/20 | 0.53 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4038055 | 0.99 | KIF11 (0.62) | KIF11KIF23MAP1LC3BCYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL4038672 | 0.98 | KIF11 (0.61) | KIF11KIF23MAP1LC3BCYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL4035699 | 0.94 | KIF11 (0.68) | KIF11KIF23MAP1LC3BCYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL3868223 | 0.93 | KIF11 (0.67) | KIF11KIF23MAP1LC3BCYP3A4CYP2C19 | |
| SCHEMBL4039730 | 0.93 | KIF11 (0.70) | KIF11KIF23MAP1LC3BCYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL4035702 | 0.92 | KIF11 (0.69) | KIF11KIF23MAP1LC3BCYP3A4CYP2C19 | |
| SCHEMBL3865933 | 0.91 | KIF11 (0.69) | KIF11KIF23MAP1LC3BCYP3A4CYP2C19 | |
| SCHEMBL3865929 | 0.91 | KIF11 (0.69) | KIF11KIF23MAP1LC3BCYP3A4CYP2C19 | |
| SCHEMBL3871270 | 0.91 | KIF11 (0.69) | KIF11KIF23MAP1LC3BCYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL3868225 | 0.91 | KIF11 (0.68) | KIF11KIF23MAP1LC3BCYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1601673-B1 | FUSED HETEROCYCLES AND USES THEREOF | ASTRAZENECA AB (SE) | 2009-06-10 | — | — | EP | disclosed |