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 | |
|---|---|---|---|---|
| ▸ | SCN1A | P35498 | 1/20 | 0.85 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.85 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 SCHEMBL11611988 | 0.99 | SCN1A (0.84) | SCN1ASCN2ASCN3ACYP3A4CYP1A2 | |
| Oxalic Acid SCHEMBL11613683 | 0.93 | SCN1A (0.80) | SCN1ASCN2ASCN3ACYP3A4CYP1A2 | |
| Tiapamil SCHEMBL93936 | 0.92 | SCN1A (1.00) | SCN1ASCN2ASCN3ACYP3A4CYP1A2 | |
| Tiapamil SCHEMBL635113 | 0.91 | SCN1A (0.98) | SCN1ASCN2ASCN3ACYP3A4CYP1A2 | |
| Oxalic Acid SCHEMBL11608698 | 0.91 | SCN1A (0.79) | SCN1ASCN2ASCN3ACYP3A4CYP1A2 | |
| Oxalic Acid SCHEMBL11612228 | 0.90 | SCN1A (0.77) | SCN1ASCN2ASCN3ACYP3A4CYP1A2 | |
| Oxalic Acid SCHEMBL11619762 | 0.88 | SCN1A (0.74) | SCN1ASCN2ASCN3ACYP3A4CYP1A2 | |
| Bromide SCHEMBL11615923 | 0.88 | SCN1A (0.90) | SCN1ASCN2ASCN3ACYP3A4CYP1A2 | |
| SCHEMBL25861795 | 0.87 | SCN1A (0.89) | SCN1ASCN2ASCN3ACYP3A4CYP1A2 | |
| Oxalic Acid SCHEMBL11615013 | 0.86 | SCN1A (0.72) | 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 |