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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 18/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 SCHEMBL729237 | 0.99 | SIGMAR1 (0.74) | SIGMAR1KCNH2CYP1A2CYP2D6TSHR | |
| SCHEMBL729236 | 0.95 | SIGMAR1 (0.82) | SIGMAR1KCNH2CYP1A2CYP2D6TSHR | |
| SCHEMBL730702 | 0.94 | SIGMAR1 (0.81) | SIGMAR1KCNH2CYP1A2CYP2D6TSHR | |
| Oxalic Acid SCHEMBL729184 | 0.91 | SIGMAR1 (0.91) | SIGMAR1KCNH2 | |
| SCHEMBL8443975 | 0.86 | SIGMAR1 (0.71) | SIGMAR1CYP1A2CYP2D6TSHR | |
| SCHEMBL731458 | 0.86 | SIGMAR1 (1.00) | SIGMAR1KCNH2 | |
| SCHEMBL731444 | 0.86 | SIGMAR1 (1.00) | SIGMAR1KCNH2 | |
| SCHEMBL729190 | 0.84 | SIGMAR1 (0.61) | SIGMAR1KCNH2 | |
| SCHEMBL729238 | 0.83 | SIGMAR1 (0.61) | SIGMAR1KCNH2 | |
| SCHEMBL17530897 | 0.80 | SIGMAR1 (0.53) | SIGMAR1KCNH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138186-B2 | Pyrazole derivatives as sigma receptors antagonists | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-03-20 | — | — | US | disclosed |
| US-20090227589-A1 | PYRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2009-09-10 | — | — | US | disclosed |
| EP-1996580-A2 | PYRRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS | Laboratorios del Dr. Esteve S.A. (ES) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007098964-A2 | PYRRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2007-09-07 | — | — | WO | disclosed |
| EP-1829873-A1 | Pyrrazole derivatives as sigma receptors antagonists | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-09-05 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090227589-A1 | PYRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS | SIGMAR1, TMEM97, P2RX3 | SIGMAR1 1/4885KCNH2 1001/4885CYP1A2 76/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.