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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | MYC | P01106 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1549077 | 0.96 | ALDH1A1 (0.57) | ALDH1A1HPGDHSD17B10KDM4EMYC | |
| Salicylic Acid SCHEMBL30710157 | 0.86 | ALDH1A1 (0.58) | ALDH1A1HPGDHSD17B10KDM4EMYC | |
| SCHEMBL1355391 | 0.84 | ALDH1A1 (0.52) | ALDH1A1HPGDHSD17B10KDM4EMYC | |
| SCHEMBL2007368 | 0.81 | HPGD (0.44) | ALDH1A1HPGDHSD17B10KDM4EMYC | |
| SCHEMBL17020099 | 0.81 | CXCR5 (0.53) | ALDH1A1HPGDHSD17B10KDM4EMYC | |
| SCHEMBL5963706 | 0.81 | ALDH1A1 (0.57) | ALDH1A1HPGDHSD17B10KDM4EMYC | |
| SCHEMBL697398 | 0.81 | BRPF1 (0.43) | ALDH1A1HPGDHSD17B10KDM4EMYC | |
| SCHEMBL578127 | 0.80 | CLCN2 (0.56) | ALDH1A1HPGDHSD17B10KDM4EMYC | |
| SCHEMBL6859420 | 0.80 | KDM4E (0.52) | ALDH1A1HPGDHSD17B10KDM4EMYC | |
| SCHEMBL2227278 | 0.79 | ALDH1A1 (0.55) | ALDH1A1HPGDHSD17B10KDM4EMYC |
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-110868862-B | Synergistic mixtures for fungal control in vegetables | 美国陶氏益农公司 | 2022-07-05 | — | — | CN | disclosed |