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 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.98 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.98 |
| ▸ | BLM | P54132 | 2/20 | 0.98 |
| ▸ | THRB | P10828 | 1/20 | 0.98 |
| ▸ | RECQL | P46063 | 1/20 | 0.98 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.98 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 3/20 | 0.54 |
| ▸ | APAF1 | O14727 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | PLEC | Q15149 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13525202 | 0.99 | MEN1 (1.00) | MEN1KMT2ABLMTHRBRECQL | |
| SCHEMBL14013408 | 0.87 | MEN1 (0.79) | MEN1KMT2ABLMTHRBRECQL | |
| SCHEMBL14046504 | 0.86 | MEN1 (0.77) | MEN1KMT2ABLMTHRBRECQL | |
| Hydrochloric Acid SCHEMBL29371579 | 0.85 | MEN1 (0.72) | MEN1KMT2ABLMTHRBRECQL | |
| SCHEMBL13524213 | 0.85 | MEN1 (0.75) | MEN1KMT2ABLMTHRBRECQL | |
| SCHEMBL13428244 | 0.85 | MEN1 (0.75) | MEN1KMT2ABLMTHRBRECQL | |
| SCHEMBL574910 | 0.84 | MEN1 (0.74) | MEN1KMT2ABLMTHRBRECQL | |
| SCHEMBL12192021 | 0.84 | MEN1 (0.74) | MEN1KMT2ABLMTHRBRECQL | |
| SCHEMBL21648601 | 0.84 | MEN1 (0.73) | MEN1KMT2ABLMTHRBRECQL | |
| Bromide SCHEMBL30740862 | 0.83 | MEN1 (0.72) | MEN1KMT2ABLMTHRBRECQL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014200872-A9 | PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES | RJS BIOLOGICS LLC (US) | 2015-02-05 | — | — | WO | disclosed |
| WO-2014200872-A1 | PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES | RJS BIOLOGICS LLC (US) | 2014-12-18 | — | — | WO | disclosed |