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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.49 |
| ▸ | JAK2 | O60674 | 2/20 | 0.48 |
| ▸ | JAK1 | P23458 | 2/20 | 0.48 |
| ▸ | TYK2 | P29597 | 2/20 | 0.48 |
| ▸ | JAK3 | P52333 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL654999 | 0.97 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL764193 | 0.97 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL12791106 | 0.97 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| Hydrochloric Acid SCHEMBL653531 | 0.96 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL6523477 | 0.94 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL1562901 | 0.94 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL6524693 | 0.89 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL266047 | 0.89 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL1189968 | 0.89 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL3617580 | 0.89 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023066825-A1 | FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-04-27 | — | — | WO | disclosed |