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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.36 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.36 |
| ▸ | P2RY6 | Q15077 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8978084 | 0.98 | P2RY6 (0.68) | P2RY6ALDH1A1PKMMIFCA1 | |
| SCHEMBL1853024 | 0.80 | P2RY6 (1.00) | P2RY6MIFCA1CA2CHRM1 | |
| SCHEMBL9547715 | 0.80 | P2RY6 (1.00) | P2RY6MIFCA1CA2CHRM1 | |
| SCHEMBL5186242 | 0.77 | P2RY6 (0.76) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL347652 | 0.75 | P2RY6 (0.79) | P2RY6MIFCA1CA2CHRM1 | |
| SCHEMBL1457664 | 0.74 | P2RY6 (0.70) | P2RY6ALDH1A1MIFCA1CA2 | |
| Hydrochloric Acid SCHEMBL21333307 | 0.74 | P2RY6 (0.49) | P2RY6CA1CA2HSD17B10CYP3A4 | |
| SCHEMBL6417472 | 0.73 | P2RY6 (0.76) | P2RY6MIFCA1CA2CHRM1 | |
| SCHEMBL27467439 | 0.73 | P2RY6 (0.76) | P2RY6MIFCA1CA2CHRM1 | |
| SCHEMBL3880561 | 0.73 | P2RY6 (0.76) | P2RY6ALDH1A1MIFCA1CA2 |
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-5534440-A | ISOTHIOCYANATE, IONIZABLE GROUP | BIOMEDICAL RESEARCH CENTRE LIMITED (CA) | 1996-07-09 | — | — | US | disclosed |
| EP-0573482-B1 | COMPOUNDS AND METHODS FOR SEQUENCING AMINO ACIDS | B R CENTRE LIMITED (CA) | 1995-12-27 | — | — | EP | disclosed |
| US-5240859-A | Coupling terminal amino acid with thioisocyanate, cleaving and identification; spectometrometric analysis | B.R. CENTRE LIMITED (CA) | 1993-08-31 | — | — | US | disclosed |