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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP5 | P45974 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28623587 | 0.86 | HTT (0.30) | HTTALOX15 | |
| Iodide SCHEMBL28630524 | 0.82 | NQO1 (0.35) | ALOX15HSD17B10TSHR | |
| SCHEMBL1147518 | 0.74 | CYP1A2 (0.44) | USP5BCAT2TP53HSD17B10AURKB | |
| Hydrochloric Acid SCHEMBL22345579 | 0.70 | HDAC6 (0.45) | PRNPRXFP1HTTTSHR | |
| SCHEMBL22345593 | 0.69 | BBOX1 (0.44) | TP53 | |
| SCHEMBL22345591 | 0.69 | BBOX1 (0.44) | TP53 | |
| SCHEMBL28634474 | 0.68 | HDAC6 (0.46) | PRNPRXFP1HTTTSHR | |
| Iodide SCHEMBL22345356 | 0.68 | BBOX1 (0.43) | TP53 | |
| Iodide SCHEMBL22345354 | 0.68 | BBOX1 (0.43) | TP53 | |
| Iodide SCHEMBL22345583 | 0.68 | BBOX1 (0.43) | TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113423694-A | Cinnolinium compounds for use in a method for controlling unwanted plant growth | 先正达农作物保护股份公司 | 2021-09-21 | — | — | CN | disclosed |