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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 12/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4659274 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL10377992 | 0.74 | CHKA (0.37) | CHKABCHEACHEALDH1A1KDM4E | |
| SCHEMBL9593244 | 0.71 | CHKA (0.38) | CHKABCHEACHEALDH1A1KDM4E | |
| Bromide SCHEMBL9592784 | 0.70 | LMNA (0.46) | CHKABCHEACHEALDH1A1SMN1; SMN2 | |
| SCHEMBL9335418 | 0.68 | SLC6A4 (0.39) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL14984430 | 0.68 | ACHE (0.48) | CHKABCHEACHEKDM4ERAB9A | |
| SCHEMBL9334968 | 0.66 | SLC6A4 (0.34) | ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10747277 | 0.66 | SLC6A4 (0.36) | CHKA | |
| SCHEMBL9334642 | 0.66 | SLC6A4 (0.31) | ALDH1A1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL9592233 | 0.66 | ALDH1A1 (0.39) | ALDH1A1KDM4ELMNAMEN1MAPT |
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-5254679-A | Containing a quaternized nitrogen | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-19 | — | — | US | disclosed |
| EP-0164944-B1 | CEPHALOSPORIN DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-07-11 | — | — | EP | disclosed |
| EP-0164944-A1 | Cephalosporin derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-12-18 | — | — | EP | disclosed |