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 | 2/20 | 0.36 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL424812 | 0.98 | CYP1A2 (0.40) | CYP1A2CYP2A6FFAR4TSHRACHE | |
| Bromide SCHEMBL3144004 | 0.96 | CYP1A2 (0.39) | CYP1A2CYP2A6FFAR4TSHRACHE | |
| SCHEMBL3183538 | 0.93 | CYP1A2 (0.40) | CYP1A2CYP2A6FFAR4TSHRACHE | |
| Perchlorate SCHEMBL3132324 | 0.90 | CA12 (0.36) | CYP1A2CYP2A6FFAR4TSHRACHE | |
| SCHEMBL3136259 | 0.90 | CYP1A2 (0.35) | CYP1A2CYP2A6FFAR4TSHRACHE | |
| SCHEMBL3139354 | 0.87 | CYP1A2 (0.33) | CYP1A2CYP2A6FFAR4TSHRACHE | |
| SCHEMBL3126244 | 0.87 | CYP1A2 (0.33) | CYP1A2CYP2A6FFAR4TSHRACHE | |
| SCHEMBL5066003 | 0.85 | FFAR4 (0.41) | FFAR4LMNAALOX12MAPTNPSR1 | |
| SCHEMBL11903936 | 0.85 | ACHE (0.44) | CYP1A2CYP2A6FFAR4TSHRACHE | |
| SCHEMBL5066033 | 0.85 | FFAR4 (0.45) | FFAR4TSHRLMNAALOX12MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6723483-B1 | Sulfonium salt compounds | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2004-04-20 | — | — | US | disclosed |
| EP-1113005-B1 | Sulfonium salt compounds | WAKO PURE CHEM IND LTD (JP) | 2003-08-06 | — | — | EP | disclosed |
| EP-1238969-A2 | Sulfonium salt compounds | Wako Pure Chemical Industries, Ltd. (JP) | 2002-09-11 | — | — | EP | disclosed |
| EP-1113005-A1 | Sulfonium salt compounds | Wako Pure Chemical Industries, Ltd. (JP) | 2001-07-04 | — | — | EP | disclosed |