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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | INSR | P06213 | 9/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
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 SCHEMBL11515203 | 1.00 | INSR (0.40) | INSRNR3C2ADRB2AURKAKDR | |
| Hydrochloric Acid SCHEMBL11513903 | 0.81 | INSR (0.40) | INSRADRB2TP53SMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL11516284 | 0.77 | INSR (0.64) | INSRADRB2LMNASMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL11516293 | 0.77 | INSR (0.64) | INSRADRB2LMNASMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL11515186 | 0.76 | INSR (0.59) | INSRADRB2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11515189 | 0.76 | INSR (0.59) | INSRADRB2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11516045 | 0.76 | INSR (0.51) | INSRADRB2CYP1A2SMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL11516042 | 0.76 | INSR (0.51) | INSRADRB2CYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL11514280 | 0.75 | KEAP1 (0.41) | NR3C2AURKAKDRAURKBTP53 | |
| Hydrochloric Acid SCHEMBL11516421 | 0.73 | INSR (0.60) | INSRADRB2SMN1; SMN2MEN1KMT2A |
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-4145537-A | BENZOTHIAZOLIUM DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1979-03-20 | — | — | US | disclosed |