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 | |
|---|---|---|---|---|
| ▸ | NAMPT known ✓ | P43490 | 1/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 3/20 | 0.44 |
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | TKT | P29401 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | LOX | P28300 | 1/20 | 0.35 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.35 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.34 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL934661 | 0.96 | TRPV4 (0.48) | TRPV4DAOKDM1AMAOAMAOB | |
| SCHEMBL2464769 | 0.82 | DAO (0.35) | TRPV4DAOKDM1AMAOAMAOB | |
| SCHEMBL4010033 | 0.81 | DAO (0.50) | TRPV4DAOKDM1AMAOAMAOB | |
| SCHEMBL19615527 | 0.80 | TRPV4 (0.47) | TRPV4DAOKDM1AMAOAMAOB | |
| SCHEMBL15284787 | 0.80 | TRPV4 (0.47) | TRPV4DAOKDM1AMAOAMAOB | |
| SCHEMBL15399525 | 0.78 | CCR9 (0.39) | DAOTRPV1 | |
| SCHEMBL317731 | 0.77 | TRPV4 (0.52) | TRPV4DAOKDM1AMAOAMAOB | |
| SCHEMBL452178 | 0.77 | TRPV4 (0.52) | TRPV4DAOKDM1AMAOAMAOB | |
| SCHEMBL3842669 | 0.76 | KDM1A (0.47) | TRPV4DAOKDM1AMAOAMAOB | |
| SCHEMBL27674235 | 0.76 | MRGPRX4 (0.40) | TRPV4DAOKDM1AMAOAMAOB |
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-2008034579-A1 | 2-HETEROCYCLYL-5-PHENOXYMETHYLPYRIDINE DERIVATIVES AS ANTICANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | WO | disclosed |