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 | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 4/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.40 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 8/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | APEX1 | P27695 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | APAF1 | O14727 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10796052 | 1.00 | KCNH2 (0.52) | KCNH2PTGS1ABCB11PDE4DNR1I2 | |
| Hydrochloric Acid SCHEMBL10796057 | 1.00 | KCNH2 (0.52) | KCNH2PTGS1ABCB11PDE4DNR1I2 | |
| Iodide SCHEMBL10668000 | 0.92 | ABCC4 (0.48) | KCNH2PTGS1ABCB11PDE4DNR1I2 | |
| SCHEMBL9624448 | 0.91 | KCNH2 (0.55) | KCNH2PTGS1ABCB11PDE4DNR1I2 | |
| SCHEMBL10504223 | 0.91 | KCNH2 (0.55) | KCNH2PTGS1ABCB11PDE4DNR1I2 | |
| SCHEMBL10532770 | 0.91 | KCNH2 (0.55) | KCNH2PTGS1ABCB11PDE4DNR1I2 | |
| SCHEMBL10504227 | 0.91 | KCNH2 (0.55) | KCNH2PTGS1ABCB11PDE4DNR1I2 | |
| SCHEMBL4337805 | 0.91 | KCNH2 (0.55) | KCNH2PTGS1ABCB11PDE4DNR1I2 | |
| SCHEMBL9624450 | 0.91 | KCNH2 (0.55) | KCNH2PTGS1ABCB11PDE4DNR1I2 | |
| SCHEMBL4337797 | 0.91 | KCNH2 (0.55) | KCNH2PTGS1ABCB11PDE4DNR1I2 |
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-4639448-A | 7-amino-3-[substituted vinyl]-3-cephem-4-carboxylates having antimicrobial activity | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1987-01-27 | — | — | US | disclosed |
| US-4546101-A | CEPHALOSPORINS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1985-10-08 | — | — | US | disclosed |
| EP-0103264-A2 | New cephem compounds and processes for preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-03-21 | — | — | EP | disclosed |