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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.80 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14861 | 0.89 | TDP1 (1.00) | TSHRTDP1ALDH1A1 | |
| SCHEMBL28236221 | 0.89 | TDP1 (1.00) | TSHRTDP1ALDH1A1 | |
| SCHEMBL9406043 | 0.84 | TSHR (0.89) | TSHRTDP1ALDH1A1 | |
| Water SCHEMBL2208354 | 0.84 | TSHR (0.89) | TSHRTDP1ALDH1A1 | |
| Ethane SCHEMBL325975 | 0.84 | TSHR (0.89) | TSHRTDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL25381110 | 0.84 | TSHR (0.89) | TSHRTDP1ALDH1A1 | |
| Methane SCHEMBL3208996 | 0.84 | TSHR (0.89) | TSHRTDP1ALDH1A1 | |
| SCHEMBL196691 | 0.84 | TSHR (0.89) | TSHRTDP1ALDH1A1 | |
| SCHEMBL10413085 | 0.84 | TSHR (0.89) | TSHRTDP1ALDH1A1 | |
| SCHEMBL7526385 | 0.84 | TSHR (0.89) | TSHRTDP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005063730-A1 | METHOD FOR THE PRODUCTION OF XANTHENE-4,5-DIOLES SUBSTITUTED IN POSITION 2.7 | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-14 | — | — | WO | disclosed |