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 | |
|---|---|---|---|---|
| ▸ | TYMP | P19971 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 5/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
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 SCHEMBL28179673 | 0.94 | TYMP (0.38) | TYMPTDP1ALDH1A1CYP3A4ACMSD | |
| SCHEMBL3502363 | 0.94 | TYMP (0.41) | TYMPTDP1ALDH1A1CYP3A4ACMSD | |
| SCHEMBL119773 | 0.94 | TYMP (0.41) | TYMPTDP1ALDH1A1CYP3A4ACMSD | |
| SCHEMBL3796623 | 0.94 | TYMP (0.41) | TYMPTDP1ALDH1A1CYP3A4ACMSD | |
| SCHEMBL2105114 | 0.94 | TYMP (0.41) | TYMPTDP1ALDH1A1CYP3A4ACMSD | |
| SCHEMBL3233362 | 0.94 | TYMP (0.41) | TYMPTDP1ALDH1A1CYP3A4ACMSD | |
| SCHEMBL18244171 | 0.94 | TYMP (0.41) | TYMPTDP1ALDH1A1CYP3A4ACMSD | |
| SCHEMBL3233355 | 0.94 | TYMP (0.41) | TYMPTDP1ALDH1A1CYP3A4ACMSD | |
| SCHEMBL21057468 | 0.94 | TYMP (0.41) | TYMPTDP1ALDH1A1CYP3A4ACMSD | |
| SCHEMBL11201526 | 0.94 | TYMP (0.41) | TYMPTDP1ALDH1A1CYP3A4ACMSD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113402516-B | Method for synthesizing isoquinolone derivative by room-temperature C-H activation/cyclization cascade reaction of N-chloroamide | 四川大学 | 2022-11-01 | — | — | CN | disclosed |
| CN-110143962-B | Novel method for synthesizing benzimidazole [1,2-a ] quinoline derivative | 四川大学 | 2021-10-08 | — | — | CN | disclosed |
| CN-111808023-A | Novel method for preparing 3-arylisoquinoline derivative | 四川大学 | 2020-10-23 | — | — | CN | disclosed |