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 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3183466 | 0.79 | TDP1 (0.46) | TDP1ALDH1A1CYP1A2CYP2A6TP53 | |
| SCHEMBL18738928 | 0.78 | TDP1 (0.41) | TDP1ALDH1A1CYP1A2CYP2A6TP53 | |
| SCHEMBL7044543 | 0.75 | TDP1 (0.42) | TDP1ALDH1A1CYP1A2CYP2A6TP53 | |
| Hydrochloric Acid SCHEMBL11620242 | 0.69 | TSHR (0.47) | TDP1ALDH1A1CYP1A2CYP2A6TAAR1 | |
| Hydrochloric Acid SCHEMBL4945005 | 0.69 | TDP1 (0.46) | TDP1ALDH1A1CYP1A2CYP2A6TP53 | |
| SCHEMBL3181363 | 0.69 | TDP1 (0.37) | TDP1ALDH1A1CYP1A2CYP2A6TP53 | |
| SCHEMBL3204685 | 0.69 | TDP1 (0.37) | TDP1ALDH1A1CYP1A2CYP2A6TP53 | |
| Bromide SCHEMBL11360078 | 0.67 | TDP1 (0.35) | TDP1ALDH1A1CYP1A2CYP2A6TP53 | |
| Dimethyl Sulfoxide SCHEMBL28285766 | 0.67 | TDP1 (0.44) | TDP1ALDH1A1CYP1A2CYP2A6TP53 | |
| SCHEMBL60541 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6277304-B1 | MIXING SOLUTION COMPRISING SOLVENT AND ELECTRONICALLY OR IONICALLY CONDUCTIVE ORGANIC POLYMER OR PRECURSOR THEREOF WITH SOLUTION COMPRISING SOLVENT, MONOMER FORMING INORGANIC MATRIX BY SOL-GEL CHEMISTRY, CATALYST AND WATER TO FORM HYBRID | DREXEL UNIVERSITY | 2001-08-21 | — | — | US | disclosed |
| US-6066269-A | Electroactive inorganic hybrid materials | DREXEL UNIVERSITY (US) | 2000-05-23 | — | — | US | disclosed |
| US-5868966-A | IONIC POLYMER, E.G. DOPED POLYANILINE, AN UNSATURATED COMPOUND HAVING A REACTIVE PENDANT GROUP, E.G 3-TRIMETHYOXYSILYLPROPYL METHACRYLATE, AND A ?GLASS? COMPONENT, E.G TETRAETHYLSILICATE; ADHESION; PROTECTIVE COATINGS | DREXEL UNIVERSITY (US) | 1999-02-09 | — | — | US | disclosed |