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 | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4591842 | 0.76 | GABRA1 (0.38) | GABRA1GABRB2ALOX5PTGS1PTGS2 | |
| SCHEMBL1164626 | 0.74 | GABRA1 (0.36) | GABRA1GABRB2ALOX5PTGS1PTGS2 | |
| SCHEMBL29259237 | 0.72 | — | — | |
| SCHEMBL4677442 | 0.72 | — | — | |
| SCHEMBL2882496 | 0.72 | — | — | |
| SCHEMBL6036916 | 0.72 | — | — | |
| SCHEMBL13572315 | 0.72 | — | — | |
| SCHEMBL249482 | 0.72 | — | — | |
| SCHEMBL5455704 | 0.72 | — | — | |
| SCHEMBL1384842 | 0.72 | GABRA1 (0.32) | GABRA1GABRB2ALOX5PTGS1PTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4787759-B2 | — | — | 2011-10-05 | — | — | JP | claimed |
| WO-2004103981-A1 | PROCESS FOR PREPARING A 4,7-BIS(5-HALOTHIEN-2-YL)-2,1,3-BENZOTHIADIAZOLE AND A PRECURSOR THEREFOR | DOW GLOBAL TECHNOLOGIES INC. (US) | 2004-12-02 | — | — | WO | claimed |