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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL131560 | 0.95 | EPHX1 (0.48) | EPHX1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Magnesium Chloride Anhydrous SCHEMBL28400650 | 0.89 | EPHX1 (0.43) | EPHX1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14667804 | 0.83 | SIGMAR1 (0.48) | EPHX1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL935835 | 0.77 | TAAR1 (0.46) | EPHX1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8194993 | 0.76 | EPHX1 (0.43) | EPHX1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14667806 | 0.76 | TSHR (0.46) | EPHX1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14667805 | 0.74 | TAAR1 (0.43) | EPHX1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27658098 | 0.73 | ALDH1A1 (0.42) | TAAR1CYP2A6ANPEP | |
| SCHEMBL31618519 | 0.72 | SRR (0.43) | EPHX1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9118343 | 0.72 | TAAR1 (0.42) | EPHX1TAAR1SLC6A2SLC6A4SLC6A3 |
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-111056918-B | Preparation method of (S) -1,2,4-butanetriol | 上海科利生物医药有限公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-111056918-A | Preparation method of (S) -1,2, 4-butanetriol | 上海科利生物医药有限公司 | 2020-04-24 | — | — | CN | disclosed |