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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | APOBEC3G | Q9HC16 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL31236838 | 0.96 | NPC1 (0.36) | CFTRNPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL2638997 | 0.84 | TP53 (0.36) | NPC1RAB9APOLBSMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL9328628 | 0.76 | SMN1; SMN2 (0.52) | CFTRNPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL9911360 | 0.72 | ALDH1A1 (0.44) | CFTRNPC1RAB9AGABRA1GABRB2 | |
| SCHEMBL25803247 | 0.69 | GABRA1 (0.31) | CFTRGABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL9327099 | 0.67 | KDM4E (0.39) | NPC1RAB9APOLBSMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL30330520 | 0.67 | KDM4E (0.39) | NPC1RAB9APOLBSMN1; SMN2MEN1 | |
| SCHEMBL10340026 | 0.67 | ACHE (0.57) | — | |
| SCHEMBL19700931 | 0.65 | CYP2D6 (0.43) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL29561021 | 0.64 | TP53 (0.40) | NPC1RAB9APOLBSMN1; SMN2MEN1 |
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-4148738-A | ALKYL OR AROMATIC SULFIDE OR POLYSULFIDE, QUATERNARY AMMONIUM HALIDE | CHEVRON RESEARCH COMPANY (US) | 1979-04-10 | — | — | US | disclosed |