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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CHAT | P28329 | 2/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL4659202 | 0.98 | ALDH1A1 (0.37) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL31612244 | 0.98 | ALDH1A1 (0.37) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL11721589 | 0.80 | CYP1A2 (0.48) | CYP3A4MAPTCYP1A2KDM4EGAA | |
| SCHEMBL11722926 | 0.78 | CYP1A2 (0.50) | ALDH1A1HSD17B10HIF1ACYP1B1CYP3A4 | |
| Bromide SCHEMBL11727587 | 0.76 | CYP1A2 (0.48) | ALDH1A1ACHEBCHECYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL1081951 | 0.76 | BCL2L1 (0.40) | ALDH1A1HSD17B10TSHRTDP1HIF1A | |
| SCHEMBL29480988 | 0.74 | BCL2L1 (0.40) | ALDH1A1HSD17B10TSHRTDP1HIF1A | |
| Bromide SCHEMBL11725158 | 0.74 | PTPN22 (0.51) | ALDH1A1HSD17B10HIF1ACYP1B1ACHE | |
| Bromide SCHEMBL11728184 | 0.74 | NQO2 (0.50) | ALDH1A1CYP3A4MAPTCYP1A2KDM4E | |
| SCHEMBL27734270 | 0.74 | BCL2L1 (0.40) | ALDH1A1HSD17B10TSHRTDP1HIF1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888346-B1 | CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS | UNIV RUTGERS (US) | 2001-06-06 | — | — | EP | disclosed |