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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.43 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 3/20 | 0.54 |
| ▸ | PNMT | P11086 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1014616 | 1.00 | IDO1 (0.54) | IDO1PNMTTAAR1KMT2ALMNA | |
| Bromide SCHEMBL5111064 | 0.95 | IDO1 (0.54) | IDO1PNMTTAAR1LMNATSHR | |
| Hydrochloric Acid SCHEMBL1043017 | 0.80 | PNMT (0.60) | IDO1PNMTTAAR1TSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL4204405 | 0.78 | PNMT (0.41) | IDO1PNMTTAAR1CYP1A2CYP3A4 | |
| Pivalate SCHEMBL9953463 | 0.77 | NPC1 (0.43) | IDO1PNMTLMNATSHRPKM | |
| Bromide SCHEMBL11300757 | 0.75 | PNMT (0.60) | IDO1PNMTTAAR1TSHRCYP1A2 | |
| SCHEMBL29519238 | 0.75 | IDO1 (0.62) | IDO1PNMTTAAR1LMNATSHR | |
| SCHEMBL6740216 | 0.75 | TAAR1 (0.71) | IDO1PNMTTAAR1KMT2ALMNA | |
| SCHEMBL672407 | 0.75 | IDO1 (0.62) | IDO1PNMTTAAR1LMNATSHR | |
| Hydrochloric Acid SCHEMBL27898437 | 0.74 | IDO1 (0.54) | IDO1PNMTTAAR1KMT2ALMNA |
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-113166153-B | Fused pyrazine derivatives as A2A/A2B inhibitors | 因赛特公司 | 2024-11-01 | — | — | CN | disclosed |
| CN-117304191-A | Fused pyrazine derivatives as A2A/A2B inhibitors | 因赛特公司 | 2023-12-29 | — | — | CN | disclosed |