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 | |
|---|---|---|---|---|
| ▸ | DNMT1 | P26358 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | WDR5 | P61964 | 1/20 | 0.35 |
| ▸ | TYMP | P19971 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30616100 | 0.97 | DNMT1 (0.40) | DNMT1DHFRGPR84WDR5TYMP | |
| SCHEMBL29368065 | 0.97 | DNMT1 (0.40) | DNMT1DHFRGPR84WDR5TYMP | |
| SCHEMBL275907 | 0.97 | DNMT1 (0.40) | DNMT1DHFRGPR84WDR5TYMP | |
| SCHEMBL8595804 | 0.95 | DNMT1 (0.39) | DNMT1DHFRGPR84WDR5TYMP | |
| SCHEMBL30436853 | 0.95 | DNMT1 (0.39) | DNMT1DHFRGPR84WDR5TYMP | |
| Hydrochloric Acid SCHEMBL8719043 | 0.94 | DNMT1 (0.38) | DNMT1DHFRGPR84WDR5TYMP | |
| SCHEMBL5805612 | 0.92 | GPR84 (0.38) | DNMT1DHFRGPR84WDR5TYMP | |
| SCHEMBL8418840 | 0.91 | WDR5 (0.37) | DNMT1DHFRGPR84WDR5TYMP | |
| SCHEMBL29124520 | 0.91 | TYMP (0.36) | DNMT1DHFRGPR84WDR5TYMP | |
| SCHEMBL8719045 | 0.91 | TYMP (0.36) | DNMT1DHFRGPR84WDR5TYMP |
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 |
|---|---|---|---|---|---|---|---|
| US-5843918-A | Anti-endotoxin compounds | EISAI CO., LTD. (JP) | 1998-12-01 | — | — | US | disclosed |
| US-5756718-A | ANALOGS OF LIPID A | EISAI CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |