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 | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL7954665 | 0.97 | AKR1C3 (0.35) | AKR1C3AKR1C2PRKCIMAPTKDM4E | |
| Hydrochloric Acid SCHEMBL3497424 | 0.77 | DNMT1 (0.35) | AKR1C3AKR1C2MAPTKDM4EGAA | |
| SCHEMBL3499609 | 0.75 | DNMT1 (0.36) | AKR1C3AKR1C2MAPTKDM4EGAA | |
| Iodide SCHEMBL3498356 | 0.74 | DNMT1 (0.35) | AKR1C3AKR1C2MAPTKDM4EGAA | |
| Hydrochloric Acid SCHEMBL7944199 | 0.70 | CA5A (0.32) | CA5A | |
| Iodide SCHEMBL7954667 | 0.67 | CA5A (0.32) | CA5A | |
| SCHEMBL3501609 | 0.65 | GPR68 (0.51) | AKR1C3AKR1C2MAPTKDM4EHPGD | |
| SCHEMBL3500528 | 0.64 | DNMT1 (0.60) | MAPTGAAL3MBTL1NPC1RAB9A | |
| SCHEMBL669554 | 0.63 | CA5A (0.67) | PRKCIMAPTHPGDL3MBTL1NPC1 | |
| SCHEMBL13307542 | 0.62 | CA5A (0.48) | AKR1C3AKR1C2PRKCIKDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6297253-B1 | INACTIVATING A NUCLEAR LOCALIZATION SIGNAL OF A PROTEIN COMPRISING CONTACTING THE PROTEIN WITH AN ARYL CARBONYL COMPOUND THAT FORMS STABLE REVERSIBLE COVALENT INTERACTIONS WITH NEIGHBORING BASIC AMINO ACID RESIDUES | THE PICOWER INSTITUTE FOR MEDICAL RESEARCH | 2001-10-02 | — | — | US | claimed |