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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9351816 | 0.98 | ACHE (0.43) | ACHETSHRMEN1KMT2AHTT | |
| Water SCHEMBL11573820 | 0.83 | DNM1 (0.46) | ACHEMEN1KMT2AHTTSMN1; SMN2 | |
| Water SCHEMBL7199703 | 0.77 | ACHE (0.46) | ACHETSHRSMN1; SMN2ALDH1A1MAPT | |
| Pentadecane SCHEMBL27500799 | 0.71 | ALDH1A1 (0.56) | ACHETSHRMEN1KMT2AHTT | |
| Catechol SCHEMBL27517238 | 0.71 | ALDH1A1 (0.56) | ACHETSHRMEN1KMT2AHTT | |
| Octane SCHEMBL27871796 | 0.71 | ALDH1A1 (0.56) | ACHETSHRMEN1KMT2AHTT | |
| SCHEMBL14210294 | 0.71 | HTR1B (0.41) | TSHRMEN1KMT2AHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL126374 | 0.70 | SMN1; SMN2 (0.46) | MEN1KMT2AHTTSMN1; SMN2ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL28387135 | 0.69 | SLC22A1 (0.50) | ACHEMEN1KMT2AHTTSMN1; SMN2 | |
| Tributylmethylammonium SCHEMBL6655559 | 0.69 | ALDH1A1 (0.37) | ACHETSHRMEN1KMT2AHTT |
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-20120162588-A1 | LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT FORMED FROM THE LIQUID CRYSTAL ALIGNMENT AGENT | CHI MEI CORPORATION (TW) | 2012-06-28 | — | — | US | disclosed |