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 | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.39 |
| ▸ | GABRE | P78334 | 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 SCHEMBL3717458 | 0.90 | ALDH1A1 (0.53) | CXCR4SMN1; SMN2ALDH1A1MAPTHIF1A | |
| Bicarbonate SCHEMBL16668464 | 0.90 | CXCR4 (0.64) | CXCR4SMN1; SMN2ALDH1A1MAPTHIF1A | |
| Piperazine SCHEMBL5874616 | 0.89 | HIF1A (0.50) | CXCR4SMN1; SMN2MAPTHIF1APDE4A | |
| Piperazine SCHEMBL27437295 | 0.89 | HIF1A (0.50) | CXCR4SMN1; SMN2MAPTHIF1APDE4A | |
| Piperazine SCHEMBL5874627 | 0.89 | HIF1A (0.50) | CXCR4SMN1; SMN2MAPTHIF1APDE4A | |
| Oxalic Acid SCHEMBL27608440 | 0.89 | SLC6A1 (0.43) | CXCR4SMN1; SMN2ALDH1A1MAPTTSHR | |
| Piperidine SCHEMBL5875101 | 0.87 | ALDH1A1 (0.60) | CXCR4SMN1; SMN2ALDH1A1MAPTHIF1A | |
| Piperidine SCHEMBL2483462 | 0.87 | ALDH1A1 (0.60) | CXCR4SMN1; SMN2ALDH1A1MAPTHIF1A | |
| Acetic Acid SCHEMBL23292732 | 0.84 | SMN1; SMN2 (0.56) | CXCR4SMN1; SMN2ALDH1A1MAPTHIF1A | |
| Carbamic Acid SCHEMBL1764104 | 0.84 | SMN1; SMN2 (0.56) | CXCR4SMN1; SMN2ALDH1A1MAPTHIF1A |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1912505-A2 | MICROEMULSIONS AND CONCENTRATES COMPRISING FIPRONIL | Bayer CropScience S.A. (FR) | 2008-04-23 | — | — | EP | disclosed |
| EP-1761490-A1 | 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS | Bayer CropScience Aktiengesellschaft (DE) | 2007-03-14 | — | — | EP | disclosed |
| WO-2007017040-A2 | MICROEMULSIONS AND CONCENTRATES COMPRISING FIPRONIL | BAYER CROPSCIENCE S.A. (FR) | 2007-02-15 | — | — | WO | disclosed |
| EP-1732930-A2 | 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES | Bayer CropScience Aktiengesellschaft (DE) | 2006-12-20 | — | — | EP | disclosed |
| EP-1725104-A2 | OIL-BASED SUSPENSION CONCENTRATES | Bayer CropScience Aktiengesellschaft (DE) | 2006-11-29 | — | — | EP | disclosed |
| EP-1656383-A1 | 4-BIPHENYL-SUBSTITUTED 4-SUBSTITUTED PYRAZOLIDIN-3,5-DIONES PESTICIDE AGENT AND/OR MICROBICIDE AND/OR HERBICIDE | Bayer CropScience AG (DE) | 2006-05-17 | — | — | EP | disclosed |
| EP-1656382-A2 | 4-BIPHENYLSUBSTITUTED PYRAZOLIDIN-3,5-DIONE DERIVATIVES | Bayer CropScience Aktiengesellschaft (DE) | 2006-05-17 | — | — | EP | disclosed |
| EP-1648898-A1 | HETARYL-SUBSTITUTED PYRAZOLIDINDIONE DERIVATIVES WITH PESTICIDAL CHARACTERISTICS | Bayer CropScience AG (DE) | 2006-04-26 | — | — | EP | disclosed |
| WO-2006000355-A1 | 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2006-01-05 | — | — | WO | disclosed |
| WO-2005092897-A2 | 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES | BAYER CROPSCIENCE AG (DE) | 2005-10-06 | — | — | WO | disclosed |
| WO-2005084435-A2 | OIL-BASED SUSPENSION CONCENTRATES | BAYER CROPSCIENCE AG (DE) | 2005-09-15 | — | — | WO | disclosed |
| EP-1572663-A1 | BIPHENYLCARBOXAMIDES | Bayer CropScience AG (DE) | 2005-09-14 | — | — | EP | disclosed |
| WO-2005016933-A1 | 4-BIPHENYL-SUBSTITUTED 4-SUBSTITUTED PYRAZOLIDIN-3,5-DIONES PESTICIDE AGENT AND/OR MICROBICIDE AND/OR HERBICIDE | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2005-02-24 | — | — | WO | disclosed |
| WO-2005016873-A2 | 4-BIPHENYLSUBSTITUTED PYRAZOLIDIN-3,5-DIONE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2005-02-24 | — | — | WO | disclosed |
| WO-2005005428-A1 | HETARYL-SUBSTITUTED PYRAZOLIDINDIONE DERIVATIVES WITH PESTICIDAL CHARACTERISTICS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2005-01-20 | — | — | WO | disclosed |
| WO-2004054982-A1 | BIPHENYLCARBOXAMIDES | BAYER CROPSCIENCE AG (DE) | 2004-07-01 | — | — | WO | disclosed |