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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 5/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PAH | P00439 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 SCHEMBL625930 | 0.95 | ALDH1A1 (0.37) | KDM4EALDH1A1HPGDLMNANOS1 | |
| Hydrochloric Acid SCHEMBL16741182 | 0.76 | KDM4E (0.36) | KDM4EALDH1A1HPGDNOS1NOS3 | |
| Sapropterin SCHEMBL1650464 | 0.68 | NOS1 (0.64) | KDM4EALDH1A1HPGDLMNANOS1 | |
| SCHEMBL156195 | 0.68 | KDM4E (0.57) | KDM4EALDH1A1HPGDLMNANOS1 | |
| SCHEMBL2044798 | 0.67 | NOS1 (0.49) | KDM4EALDH1A1HPGDNOS1NOS3 | |
| SCHEMBL3454166 | 0.67 | PNP (0.32) | NOS1BLM | |
| Hydrochloric Acid SCHEMBL625929 | 0.67 | KDM4E (0.59) | KDM4EALDH1A1HPGDLMNANOS1 | |
| Sapropterin SCHEMBL31673726 | 0.66 | NOS1 (0.65) | KDM4EALDH1A1HPGDLMNANOS1 | |
| Sapropterin SCHEMBL1534380 | 0.66 | NOS1 (0.65) | KDM4EALDH1A1HPGDLMNANOS1 | |
| Sapropterin SCHEMBL37480 | 0.66 | NOS1 (0.65) | KDM4EALDH1A1HPGDLMNANOS1 |
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-114984019-A | Iron death inhibitor compound and application thereof in field of liver injury repair | 山东中医药大学 | 2022-09-02 | — | — | CN | disclosed |