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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.41 |
| ▸ | GABRE | P78334 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL5875101 | 0.97 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2CXCR4TSHRGABRP | |
| Piperidine SCHEMBL2483462 | 0.97 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2CXCR4TSHRGABRP | |
| Piperidine SCHEMBL11439686 | 0.94 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2CXCR4TSHRGABRP | |
| Piperidine SCHEMBL11439692 | 0.94 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2CXCR4TSHRGABRP | |
| Oxalic Acid SCHEMBL10426455 | 0.94 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CXCR4TSHRGABRP | |
| Oxalic Acid SCHEMBL27608440 | 0.93 | SLC6A1 (0.43) | ALDH1A1SMN1; SMN2CXCR4TSHRGABRP | |
| Piperidine SCHEMBL10426527 | 0.91 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2CXCR4TSHRGABRP | |
| Oxalic Acid SCHEMBL4602641 | 0.90 | CXCR4 (0.60) | ALDH1A1SMN1; SMN2CXCR4TSHRGABRP | |
| Pyrrolidine SCHEMBL712847 | 0.89 | — | — | |
| Piperidine SCHEMBL4577836 | 0.86 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2CXCR4TSHRGABRP |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2097394-A1 | 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-09-09 | — | — | EP | claimed |
| WO-2008055932-A1 | 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-05-15 | — | — | WO | claimed |
| CN-108658947-A | Compound JK-03M or its pharmaceutically acceptable salt with higher protein kinase G inhibitory activity and preparation method thereof | 天津键凯科技有限公司 | 2018-10-16 | — | — | CN | disclosed |
| CN-106924264-A | Sigma ligands for preventing and/or treating postoperative pain | 埃斯特韦实验室有限公司 | 2017-07-07 | — | — | CN | disclosed |
| EP-2531191-A1 | SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POSTOPERATIVE PAIN | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2012-12-12 | — | — | EP | disclosed |
| CN-102781445-A | Sigma ligands for the prevention and/or treatment of post-operative pain | ESTEVE LABOR DR | 2012-11-14 | — | — | CN | disclosed |
| WO-2010112488-A1 | METHOD FOR OBTAINING 1,3-DIFUNCTIONALIZED PYRROLIDINE DERIVATIVES | RAGACTIVES, S.L.U. (ES) | 2010-10-07 | — | — | WO | disclosed |
| EP-2097394-A1 | 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008055932-A1 | 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-05-15 | — | — | WO | disclosed |
| US-7138413-B1 | Administering tertiary amines, e.g., 3,3-Dimethylbutyl 3-piperidinopropyl ether, 3-Phenylpropyl 3-piperidinopropyl ether, or3-(4-Chlorophenyl)propyl 3-piperidinopropyl ether to treat cognitive disorders such as attention, wakefulness and memory disorders | SOCIETE CIVILE BIOPROJET (FR) | 2006-11-21 | — | — | US | disclosed |
| CN-1091636-A | Medicine | SMITHKLINE BEECHAM PLC (GB) | 1994-09-07 | — | — | CN | disclosed |
| EP-0589971-A1 | COMPOUNDS | SMITHKLINE BEECHAM PLC (GB) | 1994-04-06 | — | — | EP | disclosed |