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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | TGM2 | P21980 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28200777 | 0.86 | KIF11 (0.47) | EPHX2NPC1RAB9AKIF11TGM2 | |
| Oxalic Acid SCHEMBL28377528 | 0.82 | GAA (0.48) | EPHX2RAB9A | |
| Oxalic Acid SCHEMBL20984338 | 0.77 | EPHX2 (0.57) | EPHX2NPC1RAB9AKIF11PTPN1 | |
| SCHEMBL1978109 | 0.77 | EPHX2 (0.57) | EPHX2NPC1RAB9AKIF11TGM2 | |
| SCHEMBL20984340 | 0.75 | EPHX2 (0.59) | EPHX2NPC1RAB9AKIF11TGM2 | |
| SCHEMBL11428736 | 0.73 | EPHX2 (0.68) | EPHX2NPC1RAB9AKIF11PTPN1 | |
| SCHEMBL22402904 | 0.72 | KIF11 (0.50) | EPHX2NPC1RAB9AKIF11TGM2 | |
| SCHEMBL935645 | 0.72 | EPHX2 (0.73) | EPHX2NPC1RAB9AKIF11TGM2 | |
| SCHEMBL9302776 | 0.72 | KIF11 (0.61) | EPHX2NPC1RAB9AKIF11TGM2 | |
| SCHEMBL28980360 | 0.72 | CYP3A4 (0.57) | EPHX2NPC1RAB9AKIF11TGM2 |
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-107663161-A | A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt | 上海惠和化德生物科技有限公司 | 2018-02-06 | — | — | CN | disclosed |