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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9063494 | 0.92 | KDM4E (0.34) | KDM4ECYP2A6ALDH1A1CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL2522928 | 0.90 | ALDH1A1 (0.38) | KDM4ECYP2A6ALDH1A1CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL8853408 | 0.90 | ALDH1A1 (0.38) | KDM4ECYP2A6ALDH1A1CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL7933266 | 0.87 | MAPT (0.34) | KDM4EALDH1A1 | |
| Fluoride Ion SCHEMBL7643349 | 0.87 | ALDH1A1 (0.38) | KDM4ECYP2A6ALDH1A1CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL7933313 | 0.81 | KDM4E (0.33) | KDM4ECYP2A6ALDH1A1CYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL8628885 | 0.79 | TNF (0.35) | KDM4ECYP2A6ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL8853186 | 0.77 | KDM4E (0.32) | KDM4ECYP2A6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7935429 | 0.77 | ADRA2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL3789707 | 0.77 | KDM4E (0.38) | KDM4ECYP2A6ALDH1A1CYP3A4CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6184402-B1 | RESOLUTION OF A STEREOISOMERIC MIXTURE OF SPECIFIC METALLOCENE COMPLEXES BRIDGED WITH A TRANSITION METAL HAVING AN OXYGEN BOND ATTACHED, I.E., A MU-OXO COMPLEX; HYDROLYSIS IN THE PRESENCE OF A BASE; SEPARATION OF MESO FORM FROM MIXES | CHISSO CORPORATION (JP) | 2001-02-06 | — | — | US | disclosed |