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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | DHFR | P00374 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL13344617 | 0.94 | BCHE (0.65) | BCHEKDM4EMAPTPKMADRB2 | |
| Oxalic Acid SCHEMBL3546925 | 0.88 | BCHE (0.71) | BCHEKDM4EMAPTPKM | |
| Oxalic Acid SCHEMBL3548498 | 0.88 | BCHE (0.61) | BCHEKDM4EMAPTPKMADRB2 | |
| SCHEMBL5708739 | 0.83 | BCHE (0.77) | BCHEKDM4EMAPTPKMADRB2 | |
| SCHEMBL5899123 | 0.83 | BCHE (0.77) | BCHEKDM4EMAPTPKMADRB2 | |
| Tetrahydropapaverine SCHEMBL30543291 | 0.83 | BCHE (0.67) | BCHEKDM4EMAPTPKM | |
| Oxalic Acid SCHEMBL5090767 | 0.83 | BCHE (0.70) | BCHEKDM4EMAPTPKMADRB2 | |
| SCHEMBL4025917 | 0.83 | BCHE (0.54) | BCHE | |
| Hydrochloric Acid SCHEMBL5708815 | 0.82 | BCHE (0.75) | BCHEKDM4EMAPTPKMADRB2 | |
| SCHEMBL3541854 | 0.81 | BCHE (0.64) | BCHEKDM4EMAPTPKMADRB2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7718672-B2 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2010-05-18 | — | — | US | disclosed |
| US-20080033007-A1 | Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy | MILLER DUANE D | 2008-02-07 | — | — | US | disclosed |
| US-20070270460-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | MILLER DUANE D | 2007-11-22 | — | — | US | disclosed |
| US-7241774-B2 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2007-07-10 | — | — | US | disclosed |
| EP-1483233-A4 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | UNIV TENNESSEE RES CORP (US) | 2005-12-21 | — | — | EP | disclosed |
| EP-1483233-A2 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | The University of Tennessee Research Corporation (US) | 2004-12-08 | — | — | EP | disclosed |
| US-20040019078-A1 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION,THE | 2004-01-29 | — | — | US | disclosed |
| WO-2003077874-A2 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2003-09-25 | — | — | WO | 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 (3 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-20080033007-A1 | Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy | BAD, TP53, MCL1 | OPRM1 3119/4885BCHE 2608/4885KDM4E 1722/4885 |
| US-20070270460-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | BAX, CASP3, BAD | OPRM1 2652/4885BCHE 478/4885KDM4E 1743/4885 |
| US-20040019078-A1 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | BAD, BAX, CASP3 | OPRM1 3150/4885BCHE 606/4885KDM4E 807/4885 |
“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.