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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LIG1 | P18858 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
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 SCHEMBL10446666 | 0.77 | MAPT (0.37) | LMNASLC6A4ALDH1A1MAPTKMT2A | |
| SCHEMBL1179845 | 0.75 | ALDH1A1 (0.47) | TSHRHPGDMAPK1HSD17B10LIG1 | |
| SCHEMBL1178398 | 0.75 | TSHR (0.41) | TSHRHPGDMAPK1HSD17B10LIG1 | |
| SCHEMBL27279385 | 0.74 | TSHR (0.39) | TSHRHPGDMAPK1HSD17B10LIG1 | |
| SCHEMBL23748189 | 0.72 | LMNA (0.44) | TSHRHPGDMAPK1HSD17B10LIG1 | |
| 1,2-Diallyloxybenzene SCHEMBL29768784 | 0.70 | HPGD (0.60) | TSHRHPGDMAPK1HSD17B10LIG1 | |
| 1,2-Diallyloxybenzene SCHEMBL366516 | 0.70 | HPGD (0.60) | TSHRHPGDMAPK1HSD17B10LIG1 | |
| SCHEMBL3817197 | 0.70 | HPGD (0.45) | TSHRHPGDMAPK1HSD17B10LIG1 | |
| SCHEMBL24353683 | 0.70 | TSHR (0.40) | TSHRHPGDMAPK1HSD17B10LIG1 | |
| Bromide SCHEMBL28490567 | 0.69 | SNCA (0.49) | ALDH1A1MAPTMEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0150984-B1 | 6-(SUBSTITUTED) METHYLENEPENICILLANIC AND 6-(SUBSTITUTED) HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF | PFIZER INC. (US) | 1991-09-11 | — | — | EP | disclosed |
| US-5015473-A | Beta-lactamase inhibitors | PFIZER INC. (US) | 1991-05-14 | — | — | US | disclosed |
| US-4826833-A | ANTIBIOTICS | PFIZER INC. (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0150984-A2 | 6-(Substituted) methylenepenicillanic and 6-(substituted) hydroxymethylpenicillanic acids and derivatives thereof | PFIZER INC. (US) | 1985-08-07 | — | — | EP | disclosed |