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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | SCN4A | P35499 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 SCHEMBL636847 | 0.69 | SMN1; SMN2 (0.48) | CA12CA1CA2CA9CA14 | |
| SCHEMBL30425848 | 0.69 | SMN1; SMN2 (0.48) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1263770 | 0.69 | SMN1; SMN2 (0.48) | CA12CA1CA2CA9CA14 | |
| Bromide SCHEMBL637005 | 0.67 | SMN1; SMN2 (0.47) | CA12CA1CA2CA9CA14 | |
| SCHEMBL26806792 | 0.66 | CA12 (0.46) | CA12CA1CA2CA9CA14 | |
| Hydrochloric Acid SCHEMBL31750726 | 0.63 | CA12 (0.38) | CA12CA1CA2CA9CA14 | |
| SCHEMBL29913142 | 0.63 | CA12 (0.48) | CA12CA1CA2CA9CA14 | |
| SCHEMBL27013968 | 0.63 | CA12 (0.48) | CA12CA1CA2CA9CA14 | |
| Hydrochloric Acid SCHEMBL10708206 | 0.63 | HDAC8 (0.40) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7262939 | 0.63 | CA12 (0.37) | CA12CA1CA2CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002085897-A9 | HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS | SANKARANARAYANAN ALANGUDI (IN) | 2004-04-01 | — | — | WO | claimed |