Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Mandelic 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.82 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.82 |
| ▸ | SRC | P12931 | 3/20 | 0.63 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Mandelic Acid SCHEMBL2770258 | 0.91 | LMNA (0.75) | LMNAMAPK1SRCCES2CES1 | |
| Mandelic Acid SCHEMBL21647917 | 0.91 | LMNA (1.00) | LMNAMAPK1SRCCES2CES1 | |
| Mandelic Acid SCHEMBL5313046 | 0.91 | LMNA (1.00) | LMNAMAPK1SRCCES2CES1 | |
| Mandelic Acid SCHEMBL29777368 | 0.91 | LMNA (1.00) | LMNAMAPK1SRCCES2CES1 | |
| Mandelic Acid SCHEMBL255601 | 0.91 | LMNA (1.00) | LMNAMAPK1SRCCES2CES1 | |
| Mandelic Acid SCHEMBL1050 | 0.91 | LMNA (1.00) | LMNAMAPK1SRCCES2CES1 | |
| Mandelic Acid SCHEMBL165161 | 0.91 | LMNA (1.00) | LMNAMAPK1SRCCES2CES1 | |
| Mandelic Acid SCHEMBL1374278 | 0.88 | LMNA (0.95) | LMNAMAPK1SRCCES2CES1 | |
| Mandelic Acid SCHEMBL3934174 | 0.88 | LMNA (0.95) | LMNAMAPK1SRCCES2CES1 | |
| Mandelic Acid SCHEMBL1680817 | 0.88 | LMNA (0.95) | LMNAMAPK1SRCCES2CES1 |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7449480-B2 | Small molecule inhibitors of HER2 expression | BAYLOR COLLEGE OF MEDICINE (US) | 2008-11-11 | — | — | US | disclosed |
| EP-1509226-A4 | SMALL MOLECULE INHIBITORS OF HER2 EXPRESSION | BAYLOR COLLEGE MEDICINE (US) | 2008-04-09 | — | — | EP | disclosed |
| US-20070244076-A1 | Site and Rate Selective Prodrug Formulations of D609 with Antioxidant and Anticancer Activity | MUSC FOUNDATION RESEARCH DEVELOPMENT (US) | 2007-10-18 | — | — | US | disclosed |
| US-7019017-B2 | Small molecule inhibitors of HER2 expression | BAYLOR COLLEGE OF MEDICINE (US) | 2006-03-28 | — | — | US | disclosed |
| US-20050288327-A1 | Small molecule inhibitors of HER2 expression | UESUGI MOTONARI | 2005-12-29 | — | — | US | disclosed |
| US-20050283007-A1 | Small molecule inhibitors of HER2 expression | BAYLOR COLLEGE OF MEDICINE | 2005-12-22 | — | — | US | disclosed |
| WO-2005074933-A1 | SMALL MOLECULE INHIBITORS OF HER2 EXPRESSION | BAYLOR COLLEGE OF MEDICINE (US) | 2005-08-18 | — | — | WO | disclosed |
| WO-2005032492-A2 | SITE AND RATE SELECTIVE PRODRUG FORMULATIONS OF D609 WITH ANTIOXIDANT AND ANTICANCER ACTIVITY | MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) | 2005-04-14 | — | — | WO | disclosed |
| EP-1509226-A2 | SMALL MOLECULE INHIBITORS OF HER2 EXPRESSION | Baylor College of Medicine (US) | 2005-03-02 | — | — | EP | disclosed |
| US-20040006106-A1 | Small molecule inhibitors of HER2 expression | BAYLOR COLLEGE OF MEDICINE | 2004-01-08 | — | — | US | disclosed |
| EP-0663827-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1995-07-26 | — | — | EP | disclosed |
| WO-1995002607-A1 | 7-SUBSTITUTED-Δ4-6-AZASTEROID DERIVATIVES AS 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1995-01-26 | — | — | WO | disclosed |
| WO-1995002587-A1 | SUBSTITUTED PIPERAZINYLCAMPHOR DERIVATIVES AS OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1995-01-26 | — | — | WO | disclosed |
| WO-1994021614-A1 | SUBSTITUTED 3-PHENANTHRIDINONE DERIVATIVES AS 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1994-09-29 | — | — | WO | disclosed |
| WO-1994014438-A1 | HYDANTOIN AND SUCCINIMIDE-SUBSTITUTED DERIVATIVES OF SPIROINDANYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1994-07-07 | — | — | WO | disclosed |
| WO-1994007496-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-04-14 | — | — | WO | disclosed |
| WO-1993006092-A1 | PIPERAZINYL (SULFONYL)AMIDE DERIVATIVES OF CAMPHOR AS OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1993-04-01 | — | — | WO | disclosed |
| US-5137904-A | Useful in the treatment of atherosclerosis and thrombosis | G. D. SEARLE & CO. (US) | 1992-08-11 | — | — | US | disclosed |
| EP-0486280-A2 | Piperidinylcamphorsulfonyl oxytocin antagonists | MERCK & CO. INC. (US) | 1992-05-20 | — | — | EP | disclosed |
| WO-1992007821-A1 | DIASTEREOISOMERS OF BICYCLO-SUBSTITUTED PHENYLACETONITRILE DERIVATIVES | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | 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 (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-20050283007-A1 | Small molecule inhibitors of HER2 expression | ERBB2, ABCC2, SLC2A2 | LMNA 4091/4885MAPK1 2156/4885SRC 1694/4885 |
| US-20050288327-A1 | Small molecule inhibitors of HER2 expression | ERBB2, ABCC2, SLC2A2 | LMNA 4091/4885MAPK1 2156/4885SRC 1694/4885 |
| US-20040006106-A1 | Small molecule inhibitors of HER2 expression | ERBB2, EGFR, ABCC2 | LMNA 3954/4885MAPK1 2201/4885SRC 1491/4885 |
| US-20070244076-A1 | Site and Rate Selective Prodrug Formulations of D609 with Antioxidant and Anticancer Activity | CDK9, CASP9, UGT1A9 | LMNA 921/4885MAPK1 3961/4885SRC 2819/4885 |
“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.