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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 SCHEMBL27990220 | 0.87 | TDP1 (0.38) | CYP3A4TDP1TP53 | |
| Hydrochloric Acid SCHEMBL5591121 | 0.87 | TDP1 (0.38) | CYP3A4TDP1TP53 | |
| Hydrochloric Acid SCHEMBL6251721 | 0.87 | TDP1 (0.38) | CYP3A4TDP1TP53 | |
| Hydrochloric Acid SCHEMBL678340 | 0.87 | TDP1 (0.38) | CYP3A4TDP1TP53 | |
| SCHEMBL163845 | 0.87 | TDP1 (0.41) | CYP3A4TDP1TP53 | |
| Hydrochloric Acid SCHEMBL7505836 | 0.85 | TDP1 (0.39) | CYP3A4TDP1TP53 | |
| SCHEMBL3068169 | 0.85 | TDP1 (0.39) | CYP3A4TDP1TP53 | |
| Hydrochloric Acid SCHEMBL6250361 | 0.85 | TDP1 (0.39) | CYP3A4TDP1TP53 | |
| SCHEMBL9650051 | 0.85 | TDP1 (0.39) | CYP3A4TDP1TP53 | |
| SCHEMBL5921753 | 0.85 | TDP1 (0.39) | CYP3A4TDP1TP53 |
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-0481405-B1 | Pyrimidin derivatives, process for their préparation, agents containing them and their use as fungicides | HOECHST SCHERING AGREVO GMBH (DE) | 1997-06-11 | — | — | EP | disclosed |
| EP-0481405-A1 | Pyrimidin derivatives, process for their préparation, agents containing them and their use as fungicides | Hoechst Schering AgrEvo GmbH (DE) | 1992-04-22 | — | — | EP | disclosed |