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 | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.33 |
| ▸ | CHRNA1 known ✓ | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG known ✓ | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 known ✓ | P11230 | 1/20 | 0.32 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.32 |
| ▸ | CHRND known ✓ | Q07001 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
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 SCHEMBL27520507 | 0.80 | PTPN1 (0.36) | PTPN1ALDH1A1CYP2A6DHFRKDM4E | |
| Hydrochloric Acid SCHEMBL27522615 | 0.80 | PTPN1 (0.36) | PTPN1ALDH1A1CYP2A6DHFRKDM4E | |
| Hydrochloric Acid SCHEMBL7936826 | 0.76 | DHFR (0.34) | PTPN1ALDH1A1CYP2A6DHFRKDM4E | |
| Hydrochloric Acid SCHEMBL7936164 | 0.76 | KDM4E (0.33) | PTPN1ALDH1A1CYP2A6DHFRKDM4E | |
| Hydrochloric Acid SCHEMBL7936831 | 0.74 | PTPN1 (0.34) | PTPN1ALDH1A1CYP2A6DHFRKDM4E | |
| Hydrochloric Acid SCHEMBL7938693 | 0.74 | PTPN1 (0.34) | PTPN1ALDH1A1CYP2A6DHFRKDM4E | |
| Hydrochloric Acid SCHEMBL7935420 | 0.74 | PTPN1 (0.34) | PTPN1ALDH1A1CYP2A6DHFRKDM4E | |
| Hydrochloric Acid SCHEMBL7936173 | 0.74 | PTPN1 (0.34) | PTPN1ALDH1A1CYP2A6DHFRKDM4E | |
| Hydrochloric Acid SCHEMBL7938948 | 0.74 | PTPN1 (0.32) | PTPN1ALDH1A1CYP2A6DHFRNISCH | |
| Hydrochloric Acid SCHEMBL7936365 | 0.73 | PTPN1 (0.31) | PTPN1ALDH1A1KDM4EENPP3ENPP1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000229990-A | METALLOCENE COMPOUND CONTAINING BIS(2,5-DISUBSTITUTED-3- NAPHTHYLCYCLOPENTADIENYL) LIGAND AND ITS PRODUCTION | CHISSO CORP | 2000-08-22 | — | — | JP | disclosed |