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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.60 |
| ▸ | TKT | P29401 | 10/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PPP5C | P53041 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL186471 | 0.90 | HSP90AA1 (0.54) | HSP90AA1TKTKDM4ETDP1 | |
| Hydrochloric Acid SCHEMBL2949884 | 0.88 | TKT (0.69) | HSP90AA1TKTKDM4EPPP5CTDP1 | |
| Hydrochloric Acid SCHEMBL14637039 | 0.87 | HSP90AA1 (0.61) | HSP90AA1TKTKDM4EPPP5CTDP1 | |
| SCHEMBL13741567 | 0.87 | TKT (0.68) | HSP90AA1TKTKDM4EPPP5CTDP1 | |
| Hydrochloric Acid SCHEMBL5940670 | 0.84 | HSP90AA1 (0.57) | HSP90AA1TKTKDM4EPPP5CTDP1 | |
| Hydrochloric Acid SCHEMBL4355811 | 0.83 | TKT (0.70) | HSP90AA1TKTKDM4EPPP5CTDP1 | |
| SCHEMBL13741845 | 0.82 | TKT (0.71) | HSP90AA1TKTKDM4EPPP5CTDP1 | |
| Hydrochloric Acid SCHEMBL19553812 | 0.77 | HSP90AA1 (0.52) | HSP90AA1TKTKDM4EPPP5CTDP1 | |
| Thiamine Ion SCHEMBL7746990 | 0.77 | HSP90AA1 (0.93) | HSP90AA1TKTKDM4ETDP1 | |
| Thiamine Ion SCHEMBL10074 | 0.76 | HSP90AA1 (0.98) | HSP90AA1TKTKDM4ETDP1 |
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-9663507-B1 | Crystallisation of thiamine hydrochloride | Topchem Pharmaceuticals Limited (IE) | 2017-05-30 | — | — | US | disclosed |