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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.44 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.44 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.44 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CASP2 | P42575 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 3/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5304036 | 0.98 | CHRM2 (0.45) | KMT2ASMN1; SMN2MAPTMEN1MAPK1 | |
| SCHEMBL27635314 | 0.98 | CHRM2 (0.45) | KMT2ASMN1; SMN2MAPTMEN1MAPK1 | |
| SCHEMBL5284689 | 0.98 | CHRM2 (0.45) | KMT2ASMN1; SMN2MAPTMEN1MAPK1 | |
| Bromide SCHEMBL8983476 | 0.96 | RAD52 (0.47) | KMT2ASMN1; SMN2MAPTMEN1MAPK1 | |
| SCHEMBL27656269 | 0.96 | CHRM2 (0.42) | KMT2ASMN1; SMN2MAPTMEN1MAPK1 | |
| Bromide SCHEMBL10673972 | 0.94 | CHRM2 (0.42) | KMT2ASMN1; SMN2MAPTMEN1MAPK1 | |
| Fluoride Ion SCHEMBL29252073 | 0.94 | CHRM2 (0.41) | KMT2ASMN1; SMN2MAPTMEN1MAPK1 | |
| Hydrochloric Acid SCHEMBL28496508 | 0.92 | KMT2A (0.50) | KMT2ASMN1; SMN2MAPTMEN1MAPK1 | |
| Hydrochloric Acid SCHEMBL16556257 | 0.92 | KMT2A (0.50) | KMT2ASMN1; SMN2MAPTMEN1MAPK1 | |
| Hydrochloric Acid SCHEMBL16556081 | 0.92 | KMT2A (0.50) | KMT2ASMN1; SMN2MAPTMEN1MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110113942-A | Synergistic antimicrobial compositions | 朱比兰特生命科学有限公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-105744836-A | ANTI-DANDRUFF COMPOSITIONS AND HAIR CARE FORMULATIONS CONTAINING ZINC PYRITHIONE AND QUATERNARY AMMONIUM SALT | 吉友联生命科学有限公司 | 2016-07-06 | — | — | CN | disclosed |