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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 18/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 SCHEMBL9525055 | 0.91 | TSHR (0.41) | TSHR | |
| Hydrochloric Acid SCHEMBL9525722 | 0.91 | NPSR1 (0.42) | TSHRMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9525272 | 0.89 | TSHR (0.38) | TSHRMEN1KMT2A | |
| SCHEMBL9525133 | 0.85 | NPC1 (0.47) | FAAHTSHRMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9524572 | 0.84 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL9525961 | 0.83 | CHRNB2 (0.42) | — | |
| Iodide SCHEMBL9525405 | 0.82 | MEN1 (0.37) | TSHRMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9525652 | 0.82 | ALDH1A1 (0.36) | — | |
| Iodide SCHEMBL9407503 | 0.81 | KMT2A (0.34) | TSHRMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9525253 | 0.81 | MEN1 (0.33) | MEN1KMT2A |
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 |