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 | |
|---|---|---|---|---|
| ▸ | HTR1F | P30939 | 7/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 SCHEMBL6643017 | 0.87 | HTR1F (0.63) | HTR1FHTR1AHTR1DHTR2CNPC1 | |
| Oxalic Acid SCHEMBL6648004 | 0.81 | HTR1F (0.51) | HTR1FHTR1AHTR1DHTR2CALDH1A1 | |
| SCHEMBL6647888 | 0.79 | HTR1F (0.75) | HTR1FACKR3ALDH1A1LMNAAURKA | |
| Oxalic Acid SCHEMBL6643189 | 0.79 | HTR1A (0.41) | HTR1FHTR1AHTR1DHTR2CLMNA | |
| SCHEMBL6647839 | 0.78 | MTNR1A (0.48) | HTR1FHTR1AHTR1DHTR2CLMNA | |
| Oxalic Acid SCHEMBL6799756 | 0.77 | NPC1 (0.47) | HTR1FHTR1AHTR1DHTR2CALDH1A1 | |
| SCHEMBL6668691 | 0.71 | HTR1F (0.49) | HTR1FHTR1AHTR1DHTR2CLMNA | |
| Hydrochloric Acid SCHEMBL5906253 | 0.70 | HTR1F (0.48) | HTR1FHTR1AHTR1DHTR2CLMNA | |
| Oxalic Acid SCHEMBL6804728 | 0.69 | HTR1F (0.94) | HTR1FHTR1AHTR1DHTR2CNPC1 | |
| SCHEMBL8549211 | 0.65 | HTR1F (0.49) | HTR1FACKR3ALDH1A1AURKARPS6KB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6696439-B1 | HETEROCYCLIC IMINES SUCH AS 2-METHYL-3-(2-(N',N'-DIETHYLAMINO) ETHYL)-5-(4-PROPANESULFONYLBENZAMIDE)FURO(3,2-B)PYRIDINE, HYDROCHLORIDE, USED AS SEROTONIN RECEPTOR ANTAGONISTS FOR PROPHYLAXIS OF HEADACHES | ELI LILLY AND COMPANY | 2004-02-24 | — | — | US | disclosed |