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 | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.36 |
| ▸ | CDK1 | P06493 | 2/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.36 |
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 SCHEMBL29089406 | 0.97 | AURKA (0.39) | AURKANPC1KDM4ERAB9AALDH1A1 | |
| Hydrochloric Acid SCHEMBL29234775 | 0.97 | AURKA (0.39) | AURKANPC1KDM4ERAB9AALDH1A1 | |
| SCHEMBL9590022 | 0.97 | NPC1 (0.40) | AURKANPC1KDM4ERAB9AALDH1A1 | |
| SCHEMBL27910482 | 0.96 | NPC1 (0.40) | AURKANPC1KDM4ERAB9AALDH1A1 | |
| SCHEMBL27968431 | 0.96 | NPC1 (0.40) | AURKANPC1KDM4ERAB9AALDH1A1 | |
| SCHEMBL28098901 | 0.96 | NPC1 (0.40) | AURKANPC1KDM4ERAB9AALDH1A1 | |
| SCHEMBL28442526 | 0.96 | NPC1 (0.40) | AURKANPC1KDM4ERAB9AALDH1A1 | |
| SCHEMBL8003382 | 0.96 | NPC1 (0.40) | AURKANPC1KDM4ERAB9AALDH1A1 | |
| SCHEMBL28843869 | 0.96 | NPC1 (0.40) | AURKANPC1KDM4ERAB9AALDH1A1 | |
| SCHEMBL28249687 | 0.96 | NPC1 (0.40) | AURKANPC1KDM4ERAB9AALDH1A1 |
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-104448283-B | A kind of preparation method of Merlon | 中国科学院长春应用化学研究所 | 2016-09-28 | — | — | CN | disclosed |