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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL114543 | 0.94 | CYP3A4 (0.50) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL29518645 | 0.91 | CYP3A4 (0.47) | CYP3A4TDP1KDM4EGAAESR1 | |
| Hydrogen Sulfide SCHEMBL28421942 | 0.91 | TDP1 (0.47) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL4998896 | 0.91 | CYP3A4 (0.47) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL31175999 | 0.91 | CYP3A4 (0.47) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL9661126 | 0.91 | CYP3A4 (0.47) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL5388290 | 0.91 | CYP3A4 (0.47) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL8539745 | 0.91 | CYP3A4 (0.47) | CYP3A4TDP1KDM4EGAAESR1 | |
| SCHEMBL4385875 | 0.91 | CYP3A4 (0.47) | CYP3A4TDP1KDM4EGAAESR1 | |
| Hydrochloric Acid SCHEMBL4930557 | 0.90 | CYP3A4 (0.38) | CYP3A4TDP1KDM4EGAAESR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7629431-B2 | Polycarbonate prepolymer for solid phase polymerization and process for producing polycarbonate | IDEMITSU KOSAN CO., LTD. (JP) | 2009-12-08 | — | — | US | disclosed |
| US-20080064847-A1 | Oxidative carbonylation; molecular weight control | IDEMISU KOSAN CO., LTD. (JP) | 2008-03-13 | — | — | US | disclosed |
| EP-0350700-A2 | Preparation of organic carbonates by oxidative carbonylation using palladium-cobalt catalyst | GENERAL ELECTRIC COMPANY (US) | 1990-01-17 | — | — | EP | disclosed |
| EP-0350697-A2 | Preparation of organic carbonates by oxidative carbonylation using palladium-manganese catalyst | GENERAL ELECTRIC COMPANY (US) | 1990-01-17 | — | — | EP | disclosed |