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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SERPINH1 | P50454 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NR4A1 | P22736 | 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 | |
|---|---|---|---|---|
| SCHEMBL6325580 | 0.71 | TAS1R3 (0.44) | TDP1ALDH1A1 | |
| SCHEMBL6326788 | 0.68 | KMT2A (0.35) | ALDH1A1 | |
| SCHEMBL10691424 | 0.66 | TDP1 (0.52) | TDP1TSHRMAPK1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL11448980 | 0.63 | DRD2 (0.42) | TDP1TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL28290605 | 0.63 | TDP1 (0.48) | TDP1TSHRMAPK1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL11442403 | 0.63 | ADRB2 (0.43) | TDP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL29780056 | 0.62 | TDP1 (0.53) | TDP1TSHRMAPK1ALDH1A1CYP3A4 | |
| SCHEMBL6327965 | 0.62 | SMN1; SMN2 (0.44) | TDP1 | |
| SCHEMBL27736937 | 0.62 | LMNA (0.47) | TDP1TSHRMAPK1 | |
| SCHEMBL27736938 | 0.61 | MEN1 (0.50) | TSHRALDH1A1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4146558-A | Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a quaternized amine alkyl or amino-alkoxy group | STERLING DRUG INC. (US) | 1979-03-27 | — | — | US | disclosed |
| US-4103092-A | Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs | STERLING DRUG INC. (US) | 1978-07-25 | — | — | US | disclosed |
| US-4065500-A | Water-soluble quaternary ammonium azo dyestuffs | STERLING DRUG INC. (US) | 1977-12-27 | — | — | US | disclosed |
| US-3996282-A | Water-soluble quaternary ammonium dyestuffs | STERLING DRUG INC. (US) | 1976-12-07 | — | — | US | disclosed |