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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CD44 | P16070 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | TDP2 | O95551 | 1/20 | 0.31 |
| ▸ | NSD2 | O96028 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 SCHEMBL10759629 | 0.80 | CYP3A4 (0.45) | CYP3A4TSHRPIK3CAALDH1A1CD44 | |
| SCHEMBL27463665 | 0.77 | CYP3A4 (0.47) | CYP3A4TSHRPIK3CAALDH1A1CD44 | |
| SCHEMBL30289 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27649989 | 0.75 | CYP3A4 (0.46) | CYP3A4TSHRPIK3CAALDH1A1CD44 | |
| SCHEMBL6744912 | 0.75 | ACHE (0.47) | CYP3A4TSHRPIK3CAACHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL11297592 | 0.73 | CYP3A4 (0.93) | CYP3A4TSHRPIK3CAALDH1A1CD44 | |
| Water SCHEMBL28073225 | 0.73 | CYP3A4 (0.93) | CYP3A4TSHRPIK3CAALDH1A1CD44 | |
| Hydrochloric Acid SCHEMBL8643455 | 0.73 | CYP3A4 (0.93) | CYP3A4TSHRPIK3CAALDH1A1CD44 | |
| Hydrogen Sulfide SCHEMBL28109494 | 0.72 | CYP3A4 (0.68) | CYP3A4TSHRPIK3CAACHEALDH1A1 | |
| SCHEMBL9650534 | 0.71 | CYP3A4 (0.88) | CYP3A4TSHRPIK3CAALDH1A1CD44 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4695632-A | ANIONIC DYE AFFINITY | BAYER AKTIENGESELLSCHAFT (DE) | 1987-09-22 | — | — | US | disclosed |
| US-4362874-A | PYRIMIDINES, ANIONIC DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1982-12-07 | — | — | US | disclosed |
| EP-0059355-A2 | Use of reactive dyestuffs in dyeing and printing of hydroxylgroups containing fibrous materials | BAYER AG (DE) | 1982-09-08 | — | — | EP | disclosed |