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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SLC19A2 | O60779 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL338519 | 0.79 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1POLBRAB9AKMT2A | |
| SCHEMBL29822577 | 0.76 | — | — | |
| SCHEMBL627705 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11737399 | 0.76 | SMN1; SMN2 (0.64) | SMN1; SMN2NPC1POLBRAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL556407 | 0.76 | SMN1; SMN2 (0.64) | SMN1; SMN2NPC1POLBRAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL23521904 | 0.75 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1POLBRAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL30059112 | 0.75 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1POLBRAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL9766442 | 0.75 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1POLBRAB9AKMT2A | |
| Iodide SCHEMBL4316516 | 0.74 | RAB9A (0.57) | SMN1; SMN2NPC1POLBRAB9AKMT2A | |
| Fluoride Ion SCHEMBL9326053 | 0.74 | RAB9A (0.57) | SMN1; SMN2NPC1POLBRAB9AKMT2A |
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-109476658-A | Substituted 5,6,7,8- tetrahydro [1,2,4] triazol [4,3-A] pyridine -3 (2H) -one and 2,5,6,7- tetrahydro -3H- pyrrolo- [2,1-c] [1,2,4] triazole -3- ketone and application thereof | 拜耳公司 | 2019-03-15 | — | — | CN | disclosed |