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 | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL842144 | 0.94 | MAPK1 (0.50) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| SCHEMBL29055216 | 0.84 | MAPK1 (0.42) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| SCHEMBL3708602 | 0.77 | MAPK1 (0.50) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| Tert-Butylbenzene SCHEMBL28274873 | 0.74 | MAPK1 (0.48) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| Bromide SCHEMBL8601711 | 0.74 | MAPK1 (0.48) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| SCHEMBL2012032 | 0.72 | MAPK1 (0.46) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| SCHEMBL662183 | 0.72 | MAPK1 (0.46) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| SCHEMBL3264960 | 0.72 | MAPK1 (0.46) | MAPK1ALDH1A1TAAR1ALOX15ESR1 | |
| Hydrochloric Acid SCHEMBL1254693 | 0.72 | KCNN4 (0.41) | MAPK1ALDH1A1TAAR1ALOX15KCNN4 | |
| Tert-Butylbenzene SCHEMBL28227859 | 0.71 | MAPK1 (0.50) | MAPK1ALDH1A1TAAR1ALOX15ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000021577-A2 | COMPOSITIONS | NYCOMED IMAGING AS (NO) | 2000-04-20 | — | — | WO | disclosed |