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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | MC4R | P32245 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL8197843 | 0.79 | CFTR (0.52) | CFTRGOPCKMT2APTGS2PTGS1 | |
| SCHEMBL147807 | 0.79 | CFTR (0.52) | CFTRGOPCKMT2APTGS2PTGS1 | |
| Hydrochloric Acid SCHEMBL9066149 | 0.75 | CFTR (0.40) | CFTRGOPCKMT2APTGS2PTGS1 | |
| Hydrochloric Acid SCHEMBL7760049 | 0.72 | CFTR (0.41) | CFTRGOPCKMT2APTGS2PTGS1 | |
| Hydrochloric Acid SCHEMBL6286926 | 0.72 | CFTR (0.38) | CFTRGOPCKMT2APTGS2PTGS1 | |
| SCHEMBL868869 | 0.71 | CFTR (0.68) | CFTRGOPCKMT2APTGS2PTGS1 | |
| Hydrochloric Acid SCHEMBL7758771 | 0.70 | CFTR (0.43) | CFTRGOPCKMT2APTGS2PTGS1 | |
| SCHEMBL6151994 | 0.70 | CFTR (0.43) | CFTRGOPCKMT2APTGS2PTGS1 | |
| SCHEMBL1044880 | 0.68 | ESR1 (0.42) | CFTRGOPCKMT2APTGS2PTGS1 | |
| Hydrochloric Acid SCHEMBL3373258 | 0.68 | CFTR (0.41) | CFTRGOPCKMT2APTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0540108-B1 | Catalyst composition | SHELL INT RESEARCH (NL) | 1996-01-03 | — | — | EP | disclosed |
| US-5279999-A | Catalyst composition | SHELL OIL COMPANY (US) | 1994-01-18 | — | — | US | disclosed |
| EP-0540108-A1 | Catalyst composition | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-05-05 | — | — | EP | disclosed |