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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1579385 | 0.94 | TSHR (0.53) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| Hydrochloric Acid SCHEMBL11571376 | 0.92 | TSHR (0.50) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| Hydrochloric Acid SCHEMBL11571374 | 0.92 | TSHR (0.50) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL31158056 | 0.82 | CYP3A4 (0.50) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL10596637 | 0.80 | CYP3A4 (0.48) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL30046611 | 0.79 | CYP3A4 (0.52) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL29518446 | 0.79 | CYP3A4 (0.52) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL9854456 | 0.79 | CYP3A4 (0.52) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL2454266 | 0.79 | CYP3A4 (0.52) | TSHRLMNAALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL23126430 | 0.79 | TSHR (0.38) | TSHRLMNAALDH1A1CYP2A6CYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4356325-A | Process for preparation of acetylene terminated sulfones, oligomers and precursors therefor | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-10-26 | — | — | US | claimed |
| US-4356325-A | Process for preparation of acetylene terminated sulfones, oligomers and precursors therefor | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-10-26 | — | — | US | disclosed |
| US-4210610-A | CHLOROARYLHYDROXY SUBSTITUTED ACETYLENES | GULF RESEARCH AND DEVELOPMENT COMPANY (US) | 1980-07-01 | — | — | US | disclosed |
| US-4204078-A | REACTING NITROBROMOBENZENE WITH A HYDROXY-ACETYLENE COMPOUND; AMINE SOLVENT AND PALLADIUM COMPLEX CATALYST | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1980-05-20 | — | — | US | disclosed |
| EP-0001479-A2 | Process for the preparation of nitrophenylhydroxyacetylene and conversion to nitrophenylacetylene | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1979-04-18 | — | — | EP | disclosed |
| US-4128588-A | PALLADIUM-PHOSPHINE COMPLEX CATALYST | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1978-12-05 | — | — | US | disclosed |