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 | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28336347 | 0.98 | HDAC8 (0.56) | HDAC8CYP2A6ALDH1A1LOXL2TSHR | |
| Iodide SCHEMBL10672612 | 0.95 | HDAC8 (0.54) | HDAC8CYP2A6ALDH1A1LOXL2TSHR | |
| SCHEMBL10613322 | 0.85 | HDAC8 (0.44) | HDAC8CYP2A6ALDH1A1CA12CA2 | |
| SCHEMBL28333937 | 0.82 | HDAC8 (0.54) | HDAC8CYP2A6ALDH1A1LOXL2TSHR | |
| Hydrochloric Acid SCHEMBL11600265 | 0.81 | MEN1 (0.48) | HDAC8CYP2A6TSHRHSD17B10MAPT | |
| Bromide SCHEMBL10609243 | 0.80 | HDAC8 (0.52) | HDAC8CYP2A6ALDH1A1LOXL2TSHR | |
| SCHEMBL8660074 | 0.78 | KMT2A (0.50) | HDAC8CYP2A6TSHRHSD17B10MAPT | |
| Hydrochloric Acid SCHEMBL8775080 | 0.78 | KMT2A (0.60) | TSHRMAPT | |
| SCHEMBL5490294 | 0.78 | TSHR (0.38) | HDAC8CYP2A6TSHRPOLBMAPT | |
| SCHEMBL5483736 | 0.78 | HDAC8 (0.38) | HDAC8CYP2A6ALDH1A1CA12CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0806473-A2 | Bleach activating cyanopyridinium compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-11-12 | — | — | EP | claimed |
| EP-0806473-A2 | Bleach activating cyanopyridinium compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-11-12 | — | — | EP | disclosed |