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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8023683 | 0.96 | HTR2A (0.39) | HTR2AHTR2CHTR2BCYP2D6CYP3A4 | |
| SCHEMBL8035511 | 0.89 | HTR2A (0.39) | HTR2AHTR2CHTR2BCYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL8037403 | 0.76 | HTR2A (0.39) | HTR2AHTR2CHTR2BCYP2D6CYP3A4 | |
| Bromide SCHEMBL8023695 | 0.76 | HTR2A (0.39) | HTR2AHTR2CHTR2BCYP2D6CYP3A4 | |
| SCHEMBL8296114 | 0.75 | HTR2A (0.41) | HTR2AHTR2CHTR2BCYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL8035433 | 0.74 | CYP2D6 (0.48) | CYP2D6CYP3A4CYP1A2NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL8022857 | 0.72 | HTR2A (0.39) | HTR2AHTR2CHTR2BCYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL8022850 | 0.71 | HTR2A (0.39) | HTR2AHTR2CHTR2BCYP2D6CYP3A4 | |
| Bromide SCHEMBL8033509 | 0.70 | CYP2D6 (0.48) | CYP2D6CYP3A4CYP1A2NFKB1PNMT | |
| SCHEMBL1254042 | 0.69 | TRPM4 (0.43) | HTR2AHTR2CHTR2BCYP2D6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6022822-A | Organotin compound and catalyst for transesterification comprising the same | RYOJI NOYORI (JP) | 2000-02-08 | — | — | US | disclosed |