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 | |
|---|---|---|---|---|
| ▸ | CMA1 | P23946 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.41 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.41 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3248618 | 0.96 | ALDH1A1 (0.50) | CMA1ALDH1A1KEAP1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL3248613 | 0.94 | CMA1 (0.49) | CMA1ALDH1A1KEAP1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL6867182 | 0.89 | HDAC1 (0.48) | ALDH1A1RAB9ANPC1HDAC2HDAC8 | |
| Hydrochloric Acid SCHEMBL10516144 | 0.83 | HDAC1 (0.50) | ALDH1A1RAB9ANPC1HDAC2HDAC8 | |
| SCHEMBL2033677 | 0.77 | L3MBTL1 (0.50) | ALDH1A1KEAP1HDAC2HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL2033675 | 0.76 | L3MBTL1 (0.49) | ALDH1A1KEAP1HDAC2HDAC8HDAC6 | |
| SCHEMBL5643545 | 0.75 | ALDH1A1 (0.54) | CMA1ALDH1A1KEAP1RAB9ANPC1 | |
| SCHEMBL11197630 | 0.75 | ALDH1A1 (0.44) | ALDH1A1RAB9ANPC1HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL4737475 | 0.74 | ALDH1A1 (0.43) | ALDH1A1RAB9ANPC1HDAC8HDAC6 | |
| SCHEMBL27523004 | 0.73 | KEAP1 (0.55) | ALDH1A1KEAP1RAB9ANPC1HDAC2 |
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 |