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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.68 |
| ▸ | MAPT | P10636 | 6/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.68 |
| ▸ | SLC15A2 | Q16348 | 3/20 | 0.68 |
| ▸ | HPGD | P15428 | 3/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | BLM | P54132 | 1/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.68 |
| ▸ | HTR2B | P41595 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.59 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.59 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL1649485 | 0.98 | ALDH1A1 (0.70) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL155070 | 0.98 | ALDH1A1 (0.70) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| Hydrochloric Acid SCHEMBL4312447 | 0.98 | ALDH1A1 (0.69) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL11625260 | 0.89 | HSD17B10 (0.57) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL11084713 | 0.86 | ALDH1A1 (0.53) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL11084708 | 0.86 | ALDH1A1 (0.53) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL11078184 | 0.85 | PLCG1 (0.55) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL11078185 | 0.85 | PLCG1 (0.55) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL11542683 | 0.85 | ALDH1A1 (0.72) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 | |
| SCHEMBL11739783 | 0.85 | ALDH1A1 (0.72) | ALDH1A1HSD17B10MAPTKMT2ACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |