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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.35 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 2/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8003377 | 0.83 | KDM4E (0.36) | L3MBTL1CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL28142259 | 0.83 | ACHE (0.39) | L3MBTL1AURKAALDH1A1KDM4ENPC1 | |
| SCHEMBL28546516 | 0.83 | KDM4E (0.36) | L3MBTL1CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL27971513 | 0.83 | KDM4E (0.36) | L3MBTL1CCNB2CDK1CCNB1CCNB3 | |
| Anisole SCHEMBL28270507 | 0.82 | CA4 (0.48) | L3MBTL1ALDH1A1KDM4ENPC1RAB9A | |
| Hydrochloric Acid SCHEMBL28446004 | 0.82 | STAT3 (0.32) | NPC1RAB9A | |
| SCHEMBL28130725 | 0.81 | KDM4E (0.35) | L3MBTL1CCNB2CDK1CCNB1CCNB3 | |
| SCHEMBL28130054 | 0.81 | NPC1 (0.38) | CCNB2CDK1CCNB1CCNB3AURKA | |
| SCHEMBL2816852 | 0.81 | CCNB2 (0.35) | L3MBTL1CCNB2CDK1CCNB1CCNB3 | |
| Methoxymethane SCHEMBL28698428 | 0.79 | STAT3 (0.38) | — |
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-109603444-B | Method for promoting oxygen and nitrogen separation of transfer membrane by using axial chlorine-containing metalloporphyrin as oxygen carrier | 中国科学院过程工程研究所 | 2020-08-04 | — | — | CN | disclosed |