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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | GSDMD | P57764 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.31 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9343779 | 0.97 | EHMT2 (0.32) | ABCB11CYP2E1PTGS1HTTGSDMD | |
| Hydrochloric Acid SCHEMBL7772578 | 0.80 | ABCB11 (0.33) | ABCB11CYP2E1PTGS1HTTGSDMD | |
| SCHEMBL8755343 | 0.77 | ABCB11 (0.35) | ABCB11CYP2E1PTGS1HTTGSDMD | |
| Hydrochloric Acid SCHEMBL7773830 | 0.77 | CA12 (0.32) | ABCB11CYP2E1PTGS1HTTGSDMD | |
| Hydrochloric Acid SCHEMBL9344372 | 0.76 | ALDH1A1 (0.32) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7775632 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL31303166 | 0.73 | MGLL (0.36) | CA12CA1CA2CA9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL261161 | 0.72 | EHMT2 (0.33) | ABCB11CYP2E1PTGS1HTTGSDMD | |
| SCHEMBL9344784 | 0.72 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL1119578 | 0.69 | EHMT2 (0.35) | ABCB11CYP2E1PTGS1HTTGSDMD |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0439745-B1 | Process for the preparation of 2-chloro-5-methyl-pyridine | BAYER AG (DE) | 1994-08-03 | — | — | EP | claimed |
| US-5103011-A | PREPARATION OF 2-CHLORO-5- METHYL-PYRIDINE | BAYER AKTIENGESELLSCHAFT (DE) | 1992-04-07 | — | — | US | claimed |
| EP-0439745-A2 | Process for the preparation of 2-chloro-5-methyl-pyridine | BAYER AG (DE) | 1991-08-07 | — | — | EP | claimed |
| EP-0769512-B1 | Process for preparing polycondensation polymers using haloiminium salts as condensation agents | MITSUI CHEMICALS INC (JP) | 2001-07-18 | — | — | EP | disclosed |
| US-5719256-A | CONDENSING CARBOXYL GROUP CONTAINING COMPOUND AND ACTIVE HYDROGEN CONTAINING COMPOUND IN PRESENCE OF HALOIMINIUM SALT AS POLYMERIZATION CATALYST | MITSU TOATSU CHEMICALS, INC. (JP) | 1998-02-17 | — | — | US | disclosed |
| EP-0769512-A2 | Process for preparing polycondensation polymers | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-04-23 | — | — | EP | disclosed |
| EP-0439745-B1 | Process for the preparation of 2-chloro-5-methyl-pyridine | BAYER AG (DE) | 1994-08-03 | — | — | EP | disclosed |
| US-5103011-A | PREPARATION OF 2-CHLORO-5- METHYL-PYRIDINE | BAYER AKTIENGESELLSCHAFT (DE) | 1992-04-07 | — | — | US | disclosed |
| EP-0439745-A2 | Process for the preparation of 2-chloro-5-methyl-pyridine | BAYER AG (DE) | 1991-08-07 | — | — | EP | disclosed |