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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 2/20 | 0.33 |
| ▸ | PTPRB | P23467 | 1/20 | 0.32 |
| ▸ | NMT1 | P30419 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 SCHEMBL4852720 | 0.81 | SLC6A3 (0.51) | SLC6A3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4855373 | 0.78 | SLC6A3 (0.51) | SLC6A3DRD2HTR2AHRH1HIF1A | |
| Bromide SCHEMBL7487077 | 0.78 | SLC6A3 (0.51) | SLC6A3ALDH1A1 | |
| SCHEMBL10249190 | 0.77 | SLC6A3 (0.56) | SLC6A3DRD2HTR2AHRH1TLR7 | |
| SCHEMBL12591848 | 0.74 | NOS1 (0.58) | SLC6A3DRD2HTR2AHRH1TLR7 | |
| Bromide SCHEMBL9321066 | 0.73 | DRD2 (0.50) | DRD2CYP3A4NPC1CYP1A2CYP2D6 | |
| SCHEMBL10163704 | 0.72 | SLC6A3 (0.46) | SLC6A3DRD2HTR2AHRH1TLR7 | |
| SCHEMBL23328947 | 0.72 | SLC6A3 (0.48) | SLC6A3DRD2HTR2AHRH1TLR7 | |
| Hydrochloric Acid SCHEMBL4886515 | 0.72 | BRD4 (0.38) | NPC1AHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL4883753 | 0.72 | SCN9A (0.36) | NPC1CYP1A2CYP2D6CYP2C19SCN9A |
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 |
|---|---|---|---|---|---|---|---|
| US-7368578-B2 | Five-membered heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-06 | — | — | US | disclosed |
| US-20060135578-A1 | Five-membered heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-06-22 | — | — | US | disclosed |
| EP-1541564-A1 | FIVE-MEMBERED HETEROCYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2005-06-15 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060135578-A1 | Five-membered heterocyclic compounds | GPR119, OR10J3, CYP11B1 | SLC6A3 2800/4885DRD2 1799/4885HTR2A 3183/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.