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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL29039004 | 0.90 | NOS2 (0.56) | NOS2HPGDMEN1KMT2ACYP2C9 | |
| SCHEMBL536803 | 0.81 | NOS2 (0.41) | NOS2HPGDMEN1KMT2AGAA | |
| SCHEMBL536801 | 0.81 | NOS2 (0.41) | NOS2HPGDMEN1KMT2AGAA | |
| Acetic Acid SCHEMBL3712409 | 0.76 | NOS2 (0.77) | NOS2HPGDMEN1KMT2ACYP2C9 | |
| Fluoride SCHEMBL28317693 | 0.73 | — | — | |
| SCHEMBL1372796 | 0.73 | — | — | |
| SCHEMBL1374483 | 0.73 | — | — | |
| SCHEMBL745665 | 0.73 | — | — | |
| SCHEMBL2321562 | 0.73 | — | — | |
| SCHEMBL5771317 | 0.73 | — | — |
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-114591273-B | Synthesis method and application of N-methyl-N' -tetrahydrofuranyl propylenediamine oxalate | 邦恩泰(山东)生物医药科技集团股份有限公司 | 2023-07-21 | — | — | CN | claimed |