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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 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 SCHEMBL5351419 | 0.85 | PNMT (0.44) | PNMTNPC1RAB9ADRD2DRD4 | |
| Fluoride Ion SCHEMBL1130432 | 0.82 | PNMT (0.44) | PNMTNPC1RAB9ADRD2DRD4 | |
| Hydrochloric Acid SCHEMBL3388376 | 0.81 | PNMT (0.35) | PNMTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL218803 | 0.80 | PNMT (0.35) | PNMTNPC1RAB9ADRD2DRD4 | |
| Fluoride Ion SCHEMBL1131088 | 0.77 | PNMT (0.35) | PNMTNPC1RAB9ADRD2DRD4 | |
| SCHEMBL2268057 | 0.77 | PNMT (0.35) | PNMTNPC1RAB9ADRD2DRD4 | |
| Hydrochloric Acid SCHEMBL3386797 | 0.76 | PNMT (0.34) | PNMTNPC1RAB9ADRD2DRD4 | |
| Hydrochloric Acid SCHEMBL6557783 | 0.72 | PNMT (0.42) | PNMTNPC1RAB9ADRD2DRD4 | |
| Hydrochloric Acid SCHEMBL7946660 | 0.70 | CYP11B2 (0.31) | PTGS2 | |
| SCHEMBL2192146 | 0.70 | PNMT (0.34) | PNMTNPC1RAB9A |
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-6248912-B1 | OF TRANSITION METALS HAVING A TETRAHYDROINDENYL LIGAND BONDED IN THE 2-POSITION | BAYER AKTIENGESELLSCHAFT (DE) | 2001-06-19 | — | — | US | disclosed |