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 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 3/20 | 0.32 |
| ▸ | ANPEP | P15144 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
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 SCHEMBL739370 | 0.98 | DPP4 (0.33) | DPP4ANPEPTSHRFAAHCA1 | |
| SCHEMBL819459 | 0.97 | DPP4 (0.33) | DPP4ANPEPTSHRFAAHCA1 | |
| SCHEMBL2149891 | 0.95 | DPP4 (0.33) | DPP4ANPEPTSHRFAAHCA1 | |
| SCHEMBL12503773 | 0.95 | DPP4 (0.33) | DPP4ANPEPTSHRFAAHCA1 | |
| SCHEMBL260939 | 0.91 | ANPEP (0.33) | DPP4ANPEPTSHRFAAHCA1 | |
| SCHEMBL3532890 | 0.90 | ANPEP (0.33) | DPP4ANPEP | |
| SCHEMBL12963288 | 0.88 | DPP4 (0.32) | DPP4ANPEPTSHRFAAHCA1 | |
| Bicarbonate SCHEMBL31529725 | 0.88 | ANPEP (0.34) | DPP4ANPEPTSHRFAAHCA1 | |
| SCHEMBL12963280 | 0.87 | MEN1 (0.33) | DPP4ANPEPTSHRFAAHCA1 | |
| Hydrochloric Acid SCHEMBL820071 | 0.86 | ANPEP (0.32) | DPP4ANPEPTSHRALDH1A1ALOX15 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2403846-B1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | HOFFMANN LA ROCHE (CH) | 2016-11-02 | — | — | EP | disclosed |
| US-8299077-B2 | Inhibitors of Bruton's tyrosine kinase | ROCHE PALO ALTO LLC (US) | 2012-10-30 | — | — | US | disclosed |
| EP-2403846-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F. Hoffmann-La Roche AG (CH) | 2012-01-11 | — | — | EP | disclosed |
| WO-2010100070-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-10 | — | — | WO | disclosed |
| US-20100222325-A1 | Inhibitors of Bruton's Tyrosine Kinase | BERTHEL STEVEN | 2010-09-02 | — | — | US | disclosed |
| US-7683064-B2 | Inhibitors of Bruton's tyrosine kinase | ROCHE PALO ALTO LLC (US) | 2010-03-23 | — | — | US | disclosed |
| US-20090306041-A1 | Inhibitors of Bruton's tyrosine kinase | ROCHE PALO ALTO LLC | 2009-12-10 | — | — | US | 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 (2 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-20100222325-A1 | Inhibitors of Bruton's Tyrosine Kinase | BTK, SYK, LYN | SLC6A2 4458/4885DPP4 3865/4885ANPEP 4617/4885 |
| US-20090306041-A1 | Inhibitors of Bruton's tyrosine kinase | BTK, SYK, LYN | SLC6A2 4460/4885DPP4 3678/4885ANPEP 4448/4885 |
“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.