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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL509714 | 0.94 | — | — | |
| SCHEMBL8206371 | 0.77 | — | — | |
| SCHEMBL8767061 | 0.75 | TSHR (0.42) | TSHRALDH1A1TP53LSSLMNA | |
| SCHEMBL8767066 | 0.75 | TSHR (0.42) | TSHRALDH1A1TP53LSSLMNA | |
| SCHEMBL8209565 | 0.74 | — | — | |
| SCHEMBL16922278 | 0.73 | — | — | |
| SCHEMBL42883 | 0.73 | — | — | |
| SCHEMBL5184876 | 0.72 | MAPT (0.56) | TSHRALDH1A1LMNAABCC4MAPT | |
| SCHEMBL8118845 | 0.72 | MAPT (0.56) | TSHRALDH1A1LMNAABCC4MAPT | |
| SCHEMBL8205469 | 0.72 | MAPT (0.56) | TSHRALDH1A1LMNAABCC4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-109796380-A | 2-allyl-3-sulfonyl-3-butenoate compound and preparation method thereof | 南京工业大学 | 2019-05-24 | — | — | CN | disclosed |