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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL4621093 | 0.97 | ALDH1A1 (0.35) | ALDH1A1MRGPRX4MDM2CYP3A4KDM4E | |
| SCHEMBL4618650 | 0.97 | ALDH1A1 (0.37) | ALDH1A1MRGPRX4MDM2CYP3A4KDM4E | |
| Hydrochloric Acid SCHEMBL39915 | 0.83 | LMNA (0.36) | ALDH1A1MRGPRX4CYP3A4KDM4EKCNH2 | |
| SCHEMBL5349583 | 0.82 | DHODH (0.44) | ALDH1A1CYP3A4KDM4EDHODHNPC1 | |
| Hydrochloric Acid SCHEMBL7095603 | 0.81 | CYP2C9 (0.45) | ALDH1A1KDM4EKCNH2NPC1RAB9A | |
| SCHEMBL5362668 | 0.77 | CYP2C9 (0.47) | ALDH1A1KDM4EKCNH2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL39584 | 0.77 | KDM4E (0.35) | ALDH1A1MRGPRX4CYP3A4KDM4E | |
| Hydrochloric Acid SCHEMBL3671010 | 0.74 | NOS1 (0.33) | — | |
| SCHEMBL22791566 | 0.74 | ALDH1A1 (0.44) | ALDH1A1CYP3A4KCNH2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL811296 | 0.74 | NOS1 (0.37) | ALDH1A1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1883470-A1 | CATALYST PRECURSOR FOR THE PRODUCTION OF OLEFINS WITH AN ODD NUMBER OF CARBON ATOMS, PROCESS FOR ITS PREPARATION AND PRODUCTION METHOD FOR SUCH OLEFINS | Saudi Basic Industries Corporation Inc. (SA) | 2008-02-06 | — | — | EP | disclosed |
| WO-2006117048-A1 | CATALYST PRECURSOR FOR THE PRODUCTION OF OLEFINS WITH AN ODD NUMBER OF CARBON ATOMS, PROCESS FOR ITS PREPARATION AND PRODUCTION METHOD FOR SUCH OLEFINS | SAUDI BASIC INDUSTRIES CORPORATION (SA) | 2006-11-09 | — | — | WO | disclosed |