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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10384331 | 0.80 | KDM4E (0.30) | KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9004999 | 0.73 | EPHX2 (0.34) | — | |
| Thiocyanic Acid SCHEMBL9004773 | 0.71 | — | — | |
| Trifluoroacetic Acid SCHEMBL7937712 | 0.70 | ALDH1A1 (0.32) | KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9004732 | 0.66 | CES2 (0.36) | CES2PDE2A | |
| Fluoride Ion SCHEMBL9004749 | 0.65 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL7931695 | 0.63 | POLQ (0.39) | CES2PDE2AKDM4EALDH1A1 | |
| SCHEMBL1538943 | 0.61 | PDE2A (0.56) | CES2PDE2A | |
| SCHEMBL6061078 | 0.61 | CES2 (0.56) | CES2PDE2AALDH1A1 | |
| SCHEMBL12868145 | 0.59 | PDE2A (0.46) | CES2PDE2AALDH1A1 |
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-5510539-A | LIQUID KETALS; LONG DARK STORAGE STABILITY | CIBA-GEIGY CORPORATION (US) | 1996-04-23 | — | — | US | disclosed |
| US-5288917-A | Benzil ketals; end-capped polyoxyyethylene glycol; mixed with titanocene-type initiators | CIBA-GEIGY CORPORATION (US) | 1994-02-22 | — | — | US | disclosed |
| US-4963470-A | PHOTOINITIATORS | CIBA-GEIGY CORPORATION (US) | 1990-10-16 | — | — | US | disclosed |
| US-4960746-A | A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE | CIBA-GEIGY CORPORATION (US) | 1990-10-02 | — | — | US | disclosed |