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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.43 |
| ▸ | NNMT | P40261 | 1/20 | 0.66 |
| ▸ | USP2 | O75604 | 1/20 | 0.66 |
| ▸ | APOBEC3A | P31941 | 4/20 | 0.57 |
| ▸ | APOBEC3G | Q9HC16 | 4/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL700182 | 0.98 | NNMT (0.68) | NNMTUSP2APOBEC3AAPOBEC3GHDAC8 | |
| Trigonelline SCHEMBL5310723 | 0.83 | NNMT (0.66) | NNMTUSP2APOBEC3AAPOBEC3GHDAC8 | |
| Trigonellamide SCHEMBL5145685 | 0.82 | NNMT (0.96) | NNMTUSP2APOBEC3AAPOBEC3GHDAC8 | |
| Trigonelline SCHEMBL29581532 | 0.81 | NNMT (0.68) | NNMTUSP2APOBEC3AAPOBEC3GHDAC8 | |
| Trigonelline SCHEMBL679317 | 0.81 | NNMT (0.68) | NNMTUSP2APOBEC3AAPOBEC3GHDAC8 | |
| Trigonellamide SCHEMBL132244 | 0.79 | NNMT (1.00) | NNMTUSP2APOBEC3AAPOBEC3GHDAC8 | |
| Trigonelline SCHEMBL195666 | 0.79 | USP2 (1.00) | NNMTUSP2APOBEC3AAPOBEC3GHDAC8 | |
| Trigonelline SCHEMBL5013564 | 0.79 | NNMT (0.66) | NNMTUSP2APOBEC3AAPOBEC3GHDAC8 | |
| SCHEMBL9626201 | 0.79 | NNMT (0.66) | NNMTUSP2APOBEC3AAPOBEC3GHDAC8 | |
| Trigonelline SCHEMBL29561369 | 0.79 | USP2 (1.00) | NNMTUSP2APOBEC3AAPOBEC3GHDAC8 |
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-2211858-B1 | USE OF QUATERNARY PYRIDINIUM SALTS FOR INHIBITING CANCER METASTASES | POLITECHNIKA LODZKA (PL) | 2015-03-25 | — | — | EP | disclosed |
| US-8304439-B1 | Use of quaternary pyridinium salts as a therapeutic or preventing agent against ionizing radiation-induced damage | POLITECHNIKA LODZKA (PL) | 2012-11-06 | — | — | US | disclosed |
| EP-2211857-B1 | USE OF QUATERNARY PYRIDINIUM SALTS FOR RADIOPROTECTION | POLITECHNIKA LODZKA (PL) | 2012-09-12 | — | — | EP | disclosed |
| US-20110201653-A1 | METHOD FOR INHIBITING AND/OR PREVENTING FORMATION OF CANCER METASTASES AND SECONDARY MALIGNANT CANCER | POLITECHNIKA LODZKA | 2011-08-18 | — | — | US | disclosed |
| EP-2211857-A1 | USE OF QUATERNARY PYRIDINIUM SALTS FOR RADIOPROTECTION | Politechnika Lodzka (PL) | 2010-08-04 | — | — | EP | disclosed |
| US-20090118340-A1 | Method for inhibiting and/or preventing formation of cancer metastases and seconddary malignant cancers | POLITECHNIKA LODZKA (PL) | 2009-05-07 | — | — | US | disclosed |
| WO-2009047290-A1 | USE OF QUATERNARY PYRIDINIUM SALTS FOR RADIOPROTECTION | POLITECHNIKA LODZKA (PL) | 2009-04-16 | — | — | 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 (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-20110201653-A1 | METHOD FOR INHIBITING AND/OR PREVENTING FORMATION OF CANCER METASTASES AND SECONDARY MALIGNANT CANCER | CYTH3, HRH3, CFH | ACHE 1859/4885NNMT 171/4885USP2 2620/4885 |
| US-20090118340-A1 | Method for inhibiting and/or preventing formation of cancer metastases and seconddary malignant cancers | CYTH3, CCNH, HCCS | ACHE 1650/4885NNMT 161/4885USP2 2310/4885 |
“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.