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 | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 8/20 | 0.71 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.56 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.56 |
| ▸ | PLA2G2A | P14555 | 5/20 | 0.50 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.45 |
| ▸ | HTR1B | P28222 | 1/20 | 0.45 |
| ▸ | HTR1E | P28566 | 1/20 | 0.45 |
| ▸ | HTR1F | P30939 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL5498898 | 0.83 | HTR6 (1.00) | HTR6PTGDR2PTGDRHTR1ADRD2 | |
| SCHEMBL7448584 | 0.81 | HTR6 (0.60) | HTR6PTGDR2PTGDRPLA2G2APLA2G4A | |
| SCHEMBL3557075 | 0.79 | HTR6 (0.64) | HTR6PTGDR2PTGDRHTR1ADRD2 | |
| SCHEMBL2007315 | 0.76 | PTGDR2 (0.74) | HTR6PTGDR2PTGDRPLA2G2ALMNA | |
| SCHEMBL18239754 | 0.76 | HTR6 (0.57) | HTR6PTGDR2PTGDRCYP1A2CYP2D6 | |
| SCHEMBL18239786 | 0.74 | HTR6 (0.56) | HTR6PTGDR2PTGDR | |
| SCHEMBL18222517 | 0.74 | HTR6 (0.56) | HTR6PTGDR2PTGDR | |
| SCHEMBL4374944 | 0.74 | HTR6 (0.60) | HTR6PTGDR2PTGDR | |
| SCHEMBL29586628 | 0.73 | HTR6 (0.47) | HTR6PTGDR2PTGDRHTR1AHTR1D | |
| SCHEMBL13228926 | 0.73 | PTGS2 (0.65) | HTR6PTGDR2PTGDRPLA2G2ALMNA |
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-6187805-B1 | TREATING CONDITION FOR WHICH SELECTIVE AGONISM OR ANTAGONISM OF 5-HT-6 RECEPTORS IS INDICATED BY ADMINISTERING COMPOUNDS SUCH AS N,N-DIMETHYL 2-(1-(BENZENESULPHONYL)-5-METHOXY-1H-INDOL-3-YL)ETHYLAMINE | MERCK SHARP & DOHME LTD. (GB) | 2001-02-13 | — | — | US | disclosed |