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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.39 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.72 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.72 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 SCHEMBL11610568 | 0.86 | SCN1A (0.85) | SCN1ASCN2ASCN3AL3MBTL1KDM4E | |
| Oxalic Acid SCHEMBL11611988 | 0.85 | SCN1A (0.84) | SCN1ASCN2ASCN3AL3MBTL1KDM4E | |
| Oxalic Acid SCHEMBL11613683 | 0.85 | SCN1A (0.80) | SCN1ASCN2ASCN3AL3MBTL1KDM4E | |
| Tiapamil SCHEMBL93936 | 0.84 | SCN1A (1.00) | SCN1ASCN2ASCN3AKDM4EHTR1A | |
| Oxalic Acid SCHEMBL11608698 | 0.83 | SCN1A (0.79) | SCN1ASCN2ASCN3AL3MBTL1KDM4E | |
| Tiapamil SCHEMBL635113 | 0.83 | SCN1A (0.98) | SCN1ASCN2ASCN3AKDM4EHTR1A | |
| Oxalic Acid SCHEMBL11612228 | 0.82 | SCN1A (0.77) | SCN1ASCN2ASCN3AL3MBTL1KDM4E | |
| Bromide SCHEMBL11615923 | 0.81 | SCN1A (0.90) | SCN1ASCN2ASCN3AKDM4EALDH1A1 | |
| SCHEMBL25861795 | 0.81 | SCN1A (0.89) | SCN1ASCN2ASCN3AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL11607284 | 0.80 | SCN1A (0.87) | SCN1ASCN2ASCN3AKDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4127588-A | Sulphur containing derivatives | HOFFMANN-LA ROCHE INC. (US) | 1978-11-28 | — | — | US | disclosed |
| US-4073797-A | CORONARY DILATOR | HOFFMANN-LA ROCHE INC. (US) | 1978-02-14 | — | — | US | disclosed |
| US-4003914-A | DITHIANE AND DISULFONE CORONARY DILATING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-01-18 | — | — | US | disclosed |