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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.38 |
| ▸ | PPM1B | O75688 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.32 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.32 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.30 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TLR2 | O60603 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL600254 | 0.87 | SMYD3 (0.33) | SMYD3GNAI3GNAO1GNAI1ALDH1A1 | |
| SCHEMBL25149963 | 0.87 | SMYD3 (0.33) | SMYD3GNAI3GNAO1GNAI1ALDH1A1 | |
| SCHEMBL600255 | 0.87 | SMYD3 (0.33) | SMYD3GNAI3GNAO1GNAI1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL21403856 | 0.85 | SMYD3 (0.35) | SMYD3PPM1BPTPN1PPP1CCDPP4 | |
| Trifluoroacetic Acid SCHEMBL20241254 | 0.85 | SMYD3 (0.35) | SMYD3PPM1BPTPN1PPP1CCDPP4 | |
| Hydrochloric Acid SCHEMBL4171489 | 0.84 | GNAI3 (0.33) | SMYD3GNAI3GNAO1GNAI1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4171485 | 0.84 | GNAI3 (0.33) | SMYD3GNAI3GNAO1GNAI1ALDH1A1 | |
| SCHEMBL8560336 | 0.77 | ITGB3 (0.38) | SMYD3 | |
| SCHEMBL8415991 | 0.77 | ITGB3 (0.38) | SMYD3 | |
| SCHEMBL15724863 | 0.75 | SMYD3 (0.35) | SMYD3 |
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-110240548-A | A kind of preparation method of Cariliprazine intermediate | 上虞京新药业有限公司 | 2019-09-17 | — | — | CN | disclosed |