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 | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11511432 | 0.72 | LMNA (0.39) | ALDH1A1L3MBTL1KDM4ETSHRLMNA | |
| Hydrochloric Acid SCHEMBL7182773 | 0.71 | ALDH1A1 (0.38) | NPSR1ALDH1A1KMT2AL3MBTL1MEN1 | |
| SCHEMBL4093701 | 0.71 | — | — | |
| SCHEMBL6399613 | 0.70 | ALDH1A1 (0.44) | NPSR1ALDH1A1KMT2AMEN1HSP90AA1 | |
| SCHEMBL1032263 | 0.69 | NPSR1 (0.48) | NPSR1ALDH1A1KMT2AL3MBTL1MEN1 | |
| SCHEMBL129787 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL27453929 | 0.69 | ALDH1A1 (0.44) | NPSR1ALDH1A1KMT2AL3MBTL1MEN1 | |
| SCHEMBL9354511 | 0.69 | ALOX5 (0.41) | NPSR1ALDH1A1KMT2AMEN1HTT | |
| Hydrochloric Acid SCHEMBL5954255 | 0.67 | NPSR1 (0.46) | NPSR1ALDH1A1KMT2AL3MBTL1MEN1 | |
| SCHEMBL30435253 | 0.67 | NPSR1 (0.46) | NPSR1ALDH1A1KMT2AL3MBTL1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109926102-B | Hydrogenation catalyst composition and preparation method thereof | 中国石油化工股份有限公司 | 2021-10-08 | — | — | CN | disclosed |
| CN-109926101-B | Startup method of vulcanized catalyst | 中国石油化工股份有限公司 | 2021-10-08 | — | — | CN | disclosed |