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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PTPRA | P18433 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5252807 | 0.92 | HRH1 (0.50) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| Bromide SCHEMBL28768599 | 0.90 | CA12 (0.49) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL27562976 | 0.90 | CA12 (0.49) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL4334489 | 0.82 | HRH1 (0.50) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL5536480 | 0.81 | HRH1 (0.53) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL5544618 | 0.79 | HRH1 (0.56) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL5252530 | 0.79 | HRH1 (0.56) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL27640134 | 0.77 | CA12 (0.61) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL28340854 | 0.76 | CA12 (0.59) | CYP1A2SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL12299309 | 0.76 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1TDP1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107907604-A | Method for detecting (2S,5R) -phenoxyl aminopiperidine-2-ethyl formate oxalate | 中山奕安泰医药科技有限公司 | 2018-04-13 | — | — | CN | disclosed |