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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 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 SCHEMBL5014150 | 0.98 | — | — | |
| SCHEMBL23036930 | 0.84 | RARB (0.39) | CYP3A4CYP2D6 | |
| SCHEMBL28246175 | 0.84 | RARB (0.39) | CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL584419 | 0.81 | CYP3A4 (0.32) | CYP3A4CYP2D6CHRNB2CHRNA4 | |
| SCHEMBL2327446 | 0.80 | CHRNB4 (0.30) | CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL27620956 | 0.80 | CHRNB4 (0.30) | CYP3A4CYP2D6CHRNB2CHRNA4 | |
| Bromide SCHEMBL5014264 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL5165803 | 0.79 | CYP3A4 (0.31) | CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL584372 | 0.73 | CHRNA7 (0.38) | CYP3A4CYP2D6CHRNB2CHRNA4 | |
| SCHEMBL5013694 | 0.72 | — | — |
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-1963333-A1 | PROCESS FOR THE PREPARATION OF PORPHYRIN DERIVATIVES AS ANTIMICROBIAL AGENTS BY PHOTODYNAMIC THERAPY (PDT) | Destiny Pharma Limited (GB) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007074340-A1 | PROCESS FOR THE PREPARATION OF PORPHYRIN DERIVATIVES AS ANTIMICROBIAL AGENTS BY PHOTODYNAMIC THERAPY (PDT) | DESTINY PHARMA LIMITED (GB) | 2007-07-05 | — | — | WO | disclosed |