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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | FGF23 | Q9GZV9 | 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 | |
|---|---|---|---|---|
| SCHEMBL9506721 | 0.72 | KMT2A (0.42) | KMT2ACFTRGOPCPTGS1ALDH1A1 | |
| SCHEMBL14663755 | 0.72 | KMT2A (0.42) | KMT2ACFTRGOPCPTGS1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9066523 | 0.65 | CFTR (0.40) | KMT2ACFTRGOPCPTGS1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9066149 | 0.65 | CFTR (0.40) | KMT2ACFTRGOPCPTGS1ALDH1A1 | |
| SCHEMBL147807 | 0.63 | CFTR (0.52) | KMT2ACFTRGOPCPTGS1ALDH1A1 | |
| SCHEMBL8197843 | 0.63 | CFTR (0.52) | KMT2ACFTRGOPCPTGS1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8468727 | 0.63 | PDE4B (0.31) | — | |
| SCHEMBL852224 | 0.60 | ALDH1A1 (0.67) | KMT2AALDH1A1 | |
| SCHEMBL532970 | 0.60 | ALDH1A1 (0.67) | KMT2AALDH1A1 | |
| SCHEMBL532969 | 0.60 | ALDH1A1 (0.67) | KMT2AALDH1A1 |
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 |