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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3821588 | 0.98 | TP53 (0.46) | TP53MGLLCYP1A2CYP2A6NISCH | |
| SCHEMBL29790818 | 0.98 | TP53 (0.46) | TP53MGLLCYP1A2CYP2A6NISCH | |
| SCHEMBL21513145 | 0.91 | TP53 (0.52) | TP53MGLLCYP1A2CYP2A6BCL2 | |
| Acetic Acid SCHEMBL9579033 | 0.83 | BCL2 (0.45) | TP53BCL2CYP3A4TDP1ALDH1A1 | |
| SCHEMBL2155830 | 0.80 | MGLL (0.43) | TP53MGLLCYP1A2CYP2A6NISCH | |
| SCHEMBL2155156 | 0.80 | TP53 (0.42) | TP53MGLLCYP1A2CYP2A6NISCH | |
| Hydrochloric Acid SCHEMBL5422898 | 0.78 | PTGS2 (0.34) | TP53CYP1A2CYP2A6NOS3NOS1 | |
| SCHEMBL166894 | 0.77 | TP53 (0.61) | TP53MGLLCYP1A2CYP2A6NISCH | |
| SCHEMBL16694168 | 0.77 | TP53 (0.39) | TP53MGLLCYP1A2CYP2A6NISCH | |
| SCHEMBL29589371 | 0.77 | TP53 (0.39) | TP53MGLLCYP1A2CYP2A6NISCH |
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 |
|---|---|---|---|---|---|---|---|
| US-20070015871-A1 | Thermoplastic elastomer composition | JSR CORPORATION (JP) | 2007-01-18 | — | — | US | disclosed |
| US-20070009696-A1 | Surface treated tube for medical use | JSR CORPORATION (JP) | 2007-01-11 | — | — | US | disclosed |