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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.30 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.30 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5450 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28053915 | 0.90 | — | — | |
| Bromide SCHEMBL3131534 | 0.90 | — | — | |
| Water SCHEMBL6421934 | 0.90 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRBBOX1EHMT2 | |
| Water SCHEMBL5110307 | 0.90 | — | — | |
| Ethyne SCHEMBL11077452 | 0.88 | ALDH1A1 (0.35) | ALDH1A1TDP1TSHRBBOX1EHMT2 | |
| SCHEMBL28802562 | 0.85 | CA4 (0.35) | ALDH1A1TDP1 | |
| Propane SCHEMBL29157598 | 0.82 | TP53 (0.39) | ALDH1A1TDP1TSHRTRPA1 | |
| SCHEMBL6448283 | 0.80 | TSHR (0.32) | ALDH1A1TDP1TSHR | |
| Formic Acid SCHEMBL29918385 | 0.78 | ALDH1A1 (0.36) | ALDH1A1TDP1TSHRTRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4126825-A1 | AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS | Janssen Pharmaceutica NV (BE) | 2023-02-08 | — | — | EP | disclosed |