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 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 SCHEMBL8743467 | 0.84 | TDP1 (0.46) | TDP1RAD52NPSR1HPGDTSHR | |
| Hydrochloric Acid SCHEMBL8743413 | 0.83 | THRB (0.53) | TDP1RAD52NPSR1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL4890550 | 0.83 | ALDH1A1 (0.59) | TDP1HCAR2NPC1RAB9AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL8743410 | 0.81 | TDP1 (0.46) | TDP1ALOX5APPHCAR2ESR1 | |
| SCHEMBL16385390 | 0.81 | ALDH1A1 (0.61) | TDP1HCAR2NPC1RAB9AL3MBTL1 | |
| SCHEMBL7990052 | 0.79 | TDP1 (0.63) | TDP1ALOX5APPHCAR2ESR1 | |
| Phenethyl Propionate SCHEMBL114088 | 0.79 | TDP1 (0.63) | TDP1ALOX5APPHCAR2ESR1 | |
| SCHEMBL451184 | 0.78 | TDP1 (0.68) | TDP1ALOX5APPHCAR2ESR1 | |
| SCHEMBL22832718 | 0.78 | TDP1 (0.81) | TDP1ALOX5APPHCAR2ESR1 | |
| SCHEMBL14694691 | 0.78 | HCAR2 (0.61) | TDP1ALOX5APPHCAR2ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0752465-A1 | Betaine esters for delivery of alcohols | THE PROCTER & GAMBLE COMPANY (US) | 1997-01-08 | — | — | EP | disclosed |
| WO-1996038528-A1 | BETAINE ESTERS FOR DELIVERY OF ALCOHOLS | THE PROCTER & GAMBLE COMPANY (US) | 1996-12-05 | — | — | WO | disclosed |