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 | 5/20 | 0.91 |
| ▸ | CA9 | Q16790 | 5/20 | 0.91 |
| ▸ | CA1 | P00915 | 1/20 | 0.91 |
| ▸ | CA3 | P07451 | 1/20 | 0.91 |
| ▸ | CA4 | P22748 | 1/20 | 0.91 |
| ▸ | CA6 | P23280 | 1/20 | 0.91 |
| ▸ | CA5A | P35218 | 1/20 | 0.91 |
| ▸ | CA7 | P43166 | 1/20 | 0.91 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.91 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.91 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.91 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.53 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | F11 | P03951 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | DDO | Q99489 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.42 |
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 SCHEMBL38659604 | 0.95 | CA12 (0.91) | CA12CA9CA1CA3CA4 | |
| SCHEMBL29351086 | 0.95 | CA12 (1.00) | CA12CA9CA1CA3CA4 | |
| SCHEMBL30958273 | 0.95 | CA12 (1.00) | CA12CA9CA1CA3CA4 | |
| SCHEMBL8621 | 0.95 | CA12 (1.00) | CA12CA9CA1CA3CA4 | |
| SCHEMBL5437282 | 0.95 | CA12 (1.00) | CA12CA9CA1CA3CA4 | |
| Hydrochloric Acid SCHEMBL4429445 | 0.93 | CA12 (0.95) | CA12CA9CA1CA3CA4 | |
| SCHEMBL14353322 | 0.93 | CA12 (0.95) | CA12CA9CA1CA3CA4 | |
| Water SCHEMBL10661261 | 0.93 | CA12 (0.95) | CA12CA9CA1CA3CA4 | |
| SCHEMBL29355150 | 0.93 | CA12 (0.95) | CA12CA9CA1CA3CA4 | |
| SCHEMBL6283613 | 0.93 | CA12 (0.95) | CA12CA9CA1CA3CA4 |
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-105315574-B | A kind of PVC calcium zinc heat stabilizers and its application | 浙江工业大学 | 2018-10-23 | — | — | CN | claimed |