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 | 0.47 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.47 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.47 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.47 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.47 |
| ▸ | BDKRB2 known ✓ | P30411 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.67 |
| ▸ | APAF1 | O14727 | 3/20 | 0.67 |
| ▸ | USP2 | O75604 | 3/20 | 0.67 |
| ▸ | TP53 | P04637 | 3/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | RAD52 | P43351 | 3/20 | 0.67 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.67 |
| ▸ | UBE2N | P61088 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
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 SCHEMBL2524643 | 0.85 | SMN1; SMN2 (0.64) | SMN1; SMN2KMT2AALDH1A1MEN1APAF1 | |
| Hydrochloric Acid SCHEMBL1627409 | 0.83 | SMN1; SMN2 (0.58) | SMN1; SMN2KMT2AALDH1A1MEN1APAF1 | |
| Methylbenzethonium SCHEMBL136062 | 0.80 | SMN1; SMN2 (1.00) | SMN1; SMN2KMT2AALDH1A1MEN1APAF1 | |
| SCHEMBL14234861 | 0.80 | LMNA (0.82) | SMN1; SMN2KMT2AALDH1A1MEN1APAF1 | |
| Methylbenzethonium SCHEMBL29740116 | 0.79 | SMN1; SMN2 (0.98) | SMN1; SMN2KMT2AALDH1A1MEN1APAF1 | |
| Methylbenzethonium SCHEMBL10984834 | 0.79 | SMN1; SMN2 (0.98) | SMN1; SMN2KMT2AALDH1A1MEN1APAF1 | |
| Methylbenzethonium SCHEMBL29630503 | 0.79 | LMNA (1.00) | SMN1; SMN2KMT2AALDH1A1MEN1APAF1 | |
| Methylbenzethonium SCHEMBL790480 | 0.79 | LMNA (1.00) | SMN1; SMN2KMT2AALDH1A1MEN1APAF1 | |
| Methylbenzethonium SCHEMBL4413366 | 0.78 | LMNA (0.98) | SMN1; SMN2KMT2AALDH1A1MEN1APAF1 | |
| Methylbenzethonium SCHEMBL7065208 | 0.78 | LMNA (0.98) | SMN1; SMN2KMT2AALDH1A1MEN1APAF1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080299177-A1 | Supramolecular Complexes for Use in Acoustically Mediated Intracellular Drug Delivery in vivo | BIOVALUATION & ANALYSIS, INC. | 2008-12-04 | — | — | US | disclosed |