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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL7322554 | 0.87 | CYP3A4 (0.51) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL7313447 | 0.82 | CYP3A4 (0.62) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL7356879 | 0.81 | CDK8 (0.61) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| Oxalic Acid SCHEMBL7274490 | 0.79 | CYP3A4 (0.67) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL7266640 | 0.75 | CYP3A4 (0.79) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL7317289 | 0.75 | CYP3A4 (0.46) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL18239557 | 0.75 | CYP3A4 (0.90) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL7430428 | 0.74 | CYP1A2 (1.00) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL7315776 | 0.73 | KDM4E (0.41) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL10338948 | 0.73 | CYP3A4 (0.74) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4742084-A | Aralykyl (arylethynyl)aralkyl amines and their use as vasodilators and antihypertensives | MCNEILAB, INC. (US) | 1988-05-03 | — | — | US | disclosed |
| US-4661635-A | ANTIARRHYTHMIA AGENTS | MCNEILAB, INC. (US) | 1987-04-28 | — | — | US | disclosed |