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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.91 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.52 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.46 |
| ▸ | CHAT | P28329 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PYGL | P06737 | 3/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | KDM4B | O94953 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL48577 | 0.95 | ALDH1A1 (1.00) | ALDH1A1VCAM1ALDH1A3HSD17B10ALDH3A1 | |
| SCHEMBL29364412 | 0.95 | ALDH1A1 (1.00) | ALDH1A1VCAM1ALDH1A3HSD17B10ALDH3A1 | |
| Hydrochloric Acid SCHEMBL28849470 | 0.93 | ALDH1A1 (0.95) | ALDH1A1VCAM1ALDH1A3HSD17B10ALDH3A1 | |
| Methylene Chloride SCHEMBL27781502 | 0.88 | ALDH1A1 (0.86) | ALDH1A1VCAM1ALDH1A3HSD17B10ALDH3A1 | |
| SCHEMBL29080593 | 0.86 | ALDH1A1 (0.83) | ALDH1A1VCAM1ALDH1A3HSD17B10ALDH3A1 | |
| Glycine SCHEMBL8216583 | 0.78 | ALDH1A1 (0.68) | ALDH1A1VCAM1ALDH1A3ALDH3A1PYGL | |
| SCHEMBL4372478 | 0.77 | ALDH1A1 (0.68) | ALDH1A1VCAM1HSD17B10KDM4EMAPT | |
| SCHEMBL30493606 | 0.76 | ALDH1A1 (0.67) | ALDH1A1VCAM1ALDH1A3HSD17B10ALDH3A1 | |
| SCHEMBL29818700 | 0.76 | ALDH1A1 (0.67) | ALDH1A1VCAM1ALDH1A3HSD17B10ALDH3A1 | |
| SCHEMBL3787764 | 0.76 | ALDH1A1 (0.67) | ALDH1A1VCAM1ALDH1A3HSD17B10ALDH3A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105148922-B | NiB amorphous alloy catalysts and preparation method thereof | 河北大学 | 2017-08-04 | — | — | CN | disclosed |