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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9523922 | 0.93 | TSHR (0.33) | OPRM1OPRK1TSHRNPSR1ROCK2 | |
| Hydrochloric Acid SCHEMBL9524987 | 0.92 | OPRM1 (0.34) | OPRM1OPRK1OPRD1TSHRNPSR1 | |
| SCHEMBL9528889 | 0.92 | TSHR (0.33) | OPRM1OPRK1TSHRNPSR1ROCK2 | |
| SCHEMBL9525650 | 0.91 | OPRM1 (0.34) | OPRM1OPRK1OPRD1TSHRNPSR1 | |
| Hydrochloric Acid SCHEMBL9525305 | 0.84 | TSHR (0.33) | OPRM1OPRK1TSHRNPSR1ROCK2 | |
| SCHEMBL9524060 | 0.84 | OPRM1 (0.37) | OPRM1OPRK1OPRD1TSHRNPSR1 | |
| Hydrochloric Acid SCHEMBL9525481 | 0.81 | SLC18A2 (0.31) | TSHRNPSR1SLC18A2 | |
| SCHEMBL9524781 | 0.80 | NPC1 (0.38) | OPRM1TSHRNPSR1ROCK2SLC6A2 | |
| SCHEMBL9525136 | 0.78 | OPRM1 (0.37) | OPRM1OPRK1OPRD1TSHRNPSR1 | |
| Hydrochloric Acid SCHEMBL9527054 | 0.78 | BMP1 (0.34) | TSHRNPSR1SLC6A2SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |
| US-4962113-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1990-10-09 | — | — | US | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |