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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.35 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
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 SCHEMBL1161001 | 0.80 | PPARD (0.54) | TSHRPPARDGABBR2GABBR1CYP1A2 | |
| Oxalic Acid SCHEMBL27625083 | 0.76 | PLA2G2D (0.36) | TSHRGABBR2GABBR1ALDH1A1 | |
| Oxalic Acid SCHEMBL27784989 | 0.75 | TSHR (0.35) | TSHRGABBR2GABBR1 | |
| Acetic Acid SCHEMBL28348119 | 0.74 | TSHR (0.46) | TSHRPPARDALDH1A1TP53TDP1 | |
| Oxalic Acid SCHEMBL3175186 | 0.73 | PPARD (0.50) | TSHRPPARDGABBR2GABBR1CYP1A2 | |
| SCHEMBL28390532 | 0.73 | PPARD (0.60) | TSHRPPARDTP53TDP1CA12 | |
| SCHEMBL5484510 | 0.72 | TSHR (0.48) | TSHRPPARDTP53TDP1 | |
| Oxalic Acid SCHEMBL5022542 | 0.72 | PPARD (0.48) | TSHRPPARDGABBR2GABBR1CYP1A2 | |
| Oxalic Acid SCHEMBL27974806 | 0.72 | GABBR2 (0.38) | GABBR2GABBR1CYP1A2ALDH1A1MEN1 | |
| SCHEMBL3469611 | 0.71 | TSHR (0.42) | TSHRPPARDMEN1KMT2ATP53 |
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-107709322-A | Tricyclic compound as anticancer | 百时美施贵宝公司 | 2018-02-16 | — | — | CN | disclosed |