Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F
The experimentally established mechanism targets of Malic 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 | 0.66 |
| ▸ | APP | P05067 | 1/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.66 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.66 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.46 |
| ▸ | F3 | P13726 | 1/20 | 0.46 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.46 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.46 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.46 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 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 | |
|---|---|---|---|---|
| Malic Acid SCHEMBL31380098 | 1.00 | ALDH1A1 (0.66) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacinamide SCHEMBL580180 | 0.88 | F7 (0.65) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacinamide SCHEMBL29011862 | 0.88 | F7 (0.65) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Malic Acid SCHEMBL28810369 | 0.88 | ALDH1A1 (0.49) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacin SCHEMBL810760 | 0.84 | ALDH1A1 (0.57) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Cadaverine Tartrate SCHEMBL219351 | 0.82 | ALDH1A1 (0.78) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Malic Acid SCHEMBL7300885 | 0.81 | SMN1; SMN2 (0.60) | SMN1; SMN2KMONAPRT | |
| Niacin SCHEMBL811046 | 0.81 | LMNA (0.61) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacin SCHEMBL1433 | 0.81 | — | — | |
| Niacin SCHEMBL3081560 | 0.81 | ALDH1A1 (1.00) | ALDH1A1APPGAAHCAR3HCAR2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040081672-A1 | Niacinamide, niacin, and niacin esters based delivery systems for treating topical disorders of skin and skin aging | GUPTA SHYAM K (US) | 2004-04-29 | — | — | US | claimed |
| US-20160220536-A1 | USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION | UNIV OHIO (US) | 2016-08-04 | — | — | US | disclosed |
| US-9326972-B2 | Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression | OHIO UNIVERSITY (US) | 2016-05-03 | — | — | US | disclosed |
| US-20120238610-A1 | Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression | OHIO UNIVERSITY | 2012-09-20 | — | — | US | disclosed |
| EP-2399578-A1 | Methods and compositions for the treatment of autoimmune and inflammatory diseases associated with toll-like receptors | The Interthyr Corporation (US) | 2011-12-28 | — | — | EP | disclosed |
| US-20100004304-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER | OHIO UNIVERSITY | 2010-01-07 | — | — | US | disclosed |
| EP-1896015-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTORS | The Interthyr Corporation (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006124676-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTORS | THE INTERTHYR CORPORATION (US) | 2006-11-23 | — | — | WO | disclosed |
| US-20060211752-A1 | Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression | BENAVIDES-PERALTA, URUGUAYSITO LORELEY (UY) | 2006-09-21 | — | — | US | disclosed |
| US-20060147508-A1 | Concurrent Enhancement of Skin Penetration of Organic Base Active Agents and Organic Hydroxy Acid Active Agents as Their Ion-Pair Complexes | BIODERM RESEARCH (US) | 2006-07-06 | — | — | US | disclosed |
| US-20040081672-A1 | Niacinamide, niacin, and niacin esters based delivery systems for treating topical disorders of skin and skin aging | GUPTA SHYAM K (US) | 2004-04-29 | — | — | US | 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 (4 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-20060211752-A1 | Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression | TLR3, IRF3, TLR4 | ALDH1A1 3364/4885APP 2349/4885GAA 4730/4885 |
| US-20120238610-A1 | Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression | IRF3, TLR3, TLR4 | ALDH1A1 3709/4885APP 3351/4885GAA 4660/4885 |
| US-20160220536-A1 | USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION | IRF3, TLR3, TLR4 | ALDH1A1 3709/4885APP 3351/4885GAA 4660/4885 |
| US-20100004304-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER | STAT3, STAT6, TLR3 | ALDH1A1 2982/4885APP 4660/4885GAA 4770/4885 |
“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.