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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SCN4A | P35499 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL22497325 | 0.94 | SCN4A (0.52) | ALDH1A1SCN4AACHEPOLBSIGMAR1 | |
| SCHEMBL20019720 | 0.92 | ACHE (0.57) | ALDH1A1SCN4AACHESIGMAR1DRD2 | |
| SCHEMBL1993388 | 0.92 | ACHE (0.57) | ALDH1A1SCN4AACHESIGMAR1DRD2 | |
| SCHEMBL14018259 | 0.92 | ACHE (0.57) | ALDH1A1SCN4AACHESIGMAR1DRD2 | |
| SCHEMBL690845 | 0.92 | ACHE (0.57) | ALDH1A1SCN4AACHESIGMAR1DRD2 | |
| SCHEMBL352022 | 0.92 | ACHE (0.57) | ALDH1A1SCN4AACHESIGMAR1DRD2 | |
| SCHEMBL20019719 | 0.92 | ACHE (0.57) | ALDH1A1SCN4AACHESIGMAR1DRD2 | |
| SCHEMBL12395260 | 0.92 | ACHE (0.57) | ALDH1A1SCN4AACHESIGMAR1DRD2 | |
| Hydrochloric Acid SCHEMBL22500017 | 0.91 | ACHE (0.55) | ALDH1A1SCN4AACHESIGMAR1BCHE | |
| Hydrochloric Acid SCHEMBL1373407 | 0.91 | ACHE (0.55) | ALDH1A1SCN4AACHESIGMAR1BCHE |
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-109503462-B | Synthesis method of tofacitinib intermediate (3R, 4R) -N, 4-dimethyl-1-benzyl-3-piperidylamine | 内蒙古京东药业有限公司 | 2022-03-25 | — | — | CN | disclosed |