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 | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.35 |
| ▸ | BCL6 | P41182 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.35 |
| ▸ | SRC | P12931 | 2/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.34 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5492624 | 0.73 | LCK (0.59) | LCKKDRJAK3MAPK14ADORA1 | |
| SCHEMBL559893 | 0.71 | MAPT (0.47) | ADORA2ABCL6ADORA1FGFR1SRC | |
| SCHEMBL19662807 | 0.68 | ADORA2A (0.49) | LCKKDRJAK3MAPK14ADORA2A | |
| SCHEMBL25394098 | 0.65 | CCR1 (0.42) | MAPK14ADORA2AADORA1ALDH1A1CYP1A2 | |
| SCHEMBL31387484 | 0.65 | CCR1 (0.42) | MAPK14ADORA2AADORA1ALDH1A1CYP1A2 | |
| SCHEMBL30628471 | 0.65 | ALDH1A1 (0.50) | ADORA2AALDH1A1CYP1A2HPGDNUDT1 | |
| SCHEMBL29368241 | 0.64 | KMT2A (0.58) | ADORA2AADORA1ALDH1A1CYP1A2MAPT | |
| SCHEMBL18376643 | 0.64 | KMT2A (0.58) | ADORA2AADORA1ALDH1A1CYP1A2MAPT | |
| SCHEMBL29371782 | 0.62 | PTGS2 (0.50) | DHFR | |
| SCHEMBL18376635 | 0.62 | PTGS2 (0.50) | DHFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1836174-A2 | ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | AMGEN INC. (US) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006039718-A2 | ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | AMGEN INC (US) | 2006-04-13 | — | — | WO | disclosed |