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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8607275 | 0.98 | CHAT (0.39) | CHATALDH1A1TSHRAKR1C3KDM1A | |
| SCHEMBL2777625 | 0.80 | PTGS2 (0.44) | ALDH1A1AKR1C3MEN1KMT2AMAPT | |
| SCHEMBL9330378 | 0.79 | MEN1 (0.36) | ALDH1A1AKR1C3KDM1AMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL8466629 | 0.74 | TRPM8 (0.35) | ALDH1A1AKR1C3MAPTRAB9A | |
| SCHEMBL4345921 | 0.74 | LMNA (0.41) | ALDH1A1TSHRMEN1KMT2AMAPT | |
| SCHEMBL7758314 | 0.73 | CYP1A2 (0.41) | CHATALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL8625481 | 0.71 | TSHR (0.40) | CHATALDH1A1TSHRAKR1C3KDM1A | |
| SCHEMBL8556341 | 0.69 | ALDH1A1 (0.46) | ALDH1A1TSHRAKR1C3KDM1ANISCH | |
| SCHEMBL7723075 | 0.69 | ALDH1A1 (0.46) | ALDH1A1TSHRAKR1C3KDM1ANISCH | |
| SCHEMBL4666032 | 0.68 | MCL1 (0.40) | CHATALDH1A1TSHRAKR1C3KDM1A |
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-1996041173-A1 | NANOPARTICLES IMPRINTED WITH RECOGNITION SITES FOR TARGET MOLECULES | MARTINEX R & D INC. (CA) | 1996-12-19 | — | — | WO | disclosed |