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 | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20278237 | 0.96 | IDO1 (0.44) | IDO1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| Hydrochloric Acid SCHEMBL6867291 | 0.82 | KMT2A (0.43) | IDO1RAB9ASMN1; SMN2EGFRKMT2A | |
| SCHEMBL18324623 | 0.79 | CA2 (0.45) | IDO1ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL6864295 | 0.78 | TAAR1 (0.46) | IDO1ALDH1A1CTBP2NPC1 | |
| SCHEMBL1751119 | 0.78 | KMT2A (0.45) | IDO1RAB9ASMN1; SMN2EGFRKMT2A | |
| SCHEMBL14948252 | 0.78 | L3MBTL1 (0.49) | IDO1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| Hydrochloric Acid SCHEMBL15663073 | 0.78 | CA2 (0.43) | IDO1ALDH1A1KMT2ALMNA | |
| SCHEMBL11197630 | 0.77 | ALDH1A1 (0.44) | RAB9ASMN1; SMN2ALDH1A1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL14935731 | 0.76 | L3MBTL1 (0.47) | IDO1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| Hydrochloric Acid SCHEMBL13836304 | 0.76 | MEN1 (0.46) | IDO1RAB9AHPGDALDH1A1CTBP2 |
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-6806380-B2 | SUCH AS 1-METHOXY-2-(3-METHYLPHENYL)ETHANIMINE BY TREATING NITRILE WITH ANHYDROUS HYDROGEN CHLORIDE SOLUTION AND ANHYDROUS ALCOHOL | LEXICON PHARMACEUTICALS, INC. | 2004-10-19 | — | — | US | disclosed |