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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | BTK | Q06187 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | REN | P00797 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL114920 | 0.96 | BTK (0.51) | EPHX2BTKGAACTSKEPHX1 | |
| Hydrochloric Acid SCHEMBL222511 | 0.94 | BTK (0.50) | EPHX2BTKGAACTSKEPHX1 | |
| Acetic Acid SCHEMBL1576649 | 0.91 | BTK (0.51) | EPHX2BTKGAACTSKEPHX1 | |
| SCHEMBL1710195 | 0.89 | BTK (0.53) | EPHX2BTKGAACTSKEPHX1 | |
| SCHEMBL5390787 | 0.89 | BTK (0.53) | EPHX2BTKGAACTSKEPHX1 | |
| SCHEMBL5376383 | 0.89 | BTK (0.53) | EPHX2BTKGAACTSKEPHX1 | |
| SCHEMBL554933 | 0.89 | EPHX2 (0.49) | EPHX2BTKGAACTSKEPHX1 | |
| SCHEMBL5390795 | 0.89 | BTK (0.53) | EPHX2BTKGAACTSKEPHX1 | |
| Trifluoroacetic Acid SCHEMBL27829992 | 0.86 | BTK (0.48) | EPHX2BTKGAACTSKEPHX1 | |
| SCHEMBL23971128 | 0.83 | BTK (0.48) | EPHX2BTKGAACTSKEPHX1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2245033-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |
| US-8008298-B2 | Pyrrolopyrazine kinase inhibitors | Roche Palo Alto (US) | 2011-08-30 | — | — | US | disclosed |
| EP-2245033-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-11-03 | — | — | EP | disclosed |
| US-20100267666-A1 | Pyrrolopyrazine kinase inhibitors | ROCHE PALO ALTO LLC | 2010-10-21 | — | — | US | disclosed |
| WO-2009106441-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-03 | — | — | WO | 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-20100267666-A1 | Pyrrolopyrazine kinase inhibitors | SYK, ZAP70, TYK2 | EPHX2 3648/4885BTK 6/4885GAA 3155/4885 |
“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.