Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Oxalic 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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.47 |
| ▸ | NOS2 | P35228 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | CD38 | P28907 | 6/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NNMT | P40261 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6492057 | 0.97 | CYP2D6 (0.43) | CYP2D6SLC6A2SLC6A4NOS2CYP3A4 | |
| Oxalic Acid SCHEMBL6493248 | 0.85 | NOS2 (0.67) | CYP2D6SLC6A2SLC6A4NOS2CYP3A4 | |
| SCHEMBL7603493 | 0.80 | HTT (0.39) | CYP2D6SLC6A2SLC6A4CYP3A4SLC6A3 | |
| SCHEMBL6498984 | 0.79 | NOS2 (0.62) | CYP2D6SLC6A2SLC6A4NOS2CYP3A4 | |
| Oxalic Acid SCHEMBL6491911 | 0.64 | NOS2 (1.00) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL6983849 | 0.64 | CYP2D6 (0.44) | CYP2D6SLC6A2SLC6A4NOS2CYP3A4 | |
| Oxalic Acid SCHEMBL7311161 | 0.62 | SLC6A2 (0.59) | CYP2D6SLC6A2SLC6A4NOS2CYP3A4 | |
| Oxalic Acid SCHEMBL6502777 | 0.62 | NOS2 (0.80) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL25107515 | 0.61 | POLB (0.41) | CYP2D6SLC6A2SLC6A4CYP3A4SLC6A3 | |
| SCHEMBL38661915 | 0.60 | CYP3A4 (0.44) | CYP2D6SLC6A2SLC6A4CYP3A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1263711-B1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-12-15 | — | — | EP | disclosed |