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 | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | HTR7 | P34969 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | DHFR | P00374 | 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 SCHEMBL7935976 | 0.83 | NISCH (0.33) | NISCHPTPN1KDM4EALPLGAA | |
| SCHEMBL1029739 | 0.72 | SLC6A3 (0.40) | NISCHPTPN1KDM4EALPLGAA | |
| Hydrochloric Acid SCHEMBL27537067 | 0.71 | NISCH (0.38) | NISCHPTPN1KDM4EALPLGAA | |
| Hydrochloric Acid SCHEMBL27546014 | 0.71 | NISCH (0.38) | NISCHPTPN1KDM4EALPLGAA | |
| Hydrochloric Acid SCHEMBL7936853 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL7938840 | 0.68 | BRD4 (0.37) | NISCHBRD4PARP1PTPN1KDM4E | |
| SCHEMBL19593316 | 0.67 | PTPN1 (0.41) | NISCHPTPN1KDM4EALPLGAA | |
| Hydrochloric Acid SCHEMBL7938961 | 0.67 | PTPN1 (0.33) | NISCHPTPN1KDM4EALPLGAA | |
| SCHEMBL3388511 | 0.66 | HPRT1 (0.44) | MAPTRAB9AALDH1A1CYP2A6 | |
| Hydrochloric Acid SCHEMBL7926454 | 0.66 | NISCH (0.34) | NISCHPTPN1KDM4EALPLGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-6184402-B1 | RESOLUTION OF A STEREOISOMERIC MIXTURE OF SPECIFIC METALLOCENE COMPLEXES BRIDGED WITH A TRANSITION METAL HAVING AN OXYGEN BOND ATTACHED, I.E., A MU-OXO COMPLEX; HYDROLYSIS IN THE PRESENCE OF A BASE; SEPARATION OF MESO FORM FROM MIXES | CHISSO CORPORATION (JP) | 2001-02-06 | — | — | US | disclosed |