Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.50 |
| ▸ | PGK2 | P07205 | 1/20 | 0.50 |
| ▸ | PGD | P52209 | 3/20 | 0.47 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | LPAR1 | Q92633 | 7/20 | 0.40 |
| ▸ | LPAR5 | Q9H1C0 | 4/20 | 0.40 |
| ▸ | LPAR4 | Q99677 | 3/20 | 0.40 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.40 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.40 |
| ▸ | LPAR6 | P43657 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL27990255 | 0.88 | PGK1 (0.56) | PGK1PGK2PGDMPILPAR1 | |
| SCHEMBL14278848 | 0.86 | PGK1 (0.52) | PGK1PGK2PGDMPILPAR1 | |
| SCHEMBL7340 | 0.86 | PGK1 (0.52) | PGK1PGK2PGDMPILPAR1 | |
| SCHEMBL14278847 | 0.86 | PGK1 (0.52) | PGK1PGK2PGDMPILPAR1 | |
| SCHEMBL6655023 | 0.86 | PGK1 (0.52) | PGK1PGK2PGDMPILPAR1 | |
| SCHEMBL213379 | 0.86 | PGK1 (0.52) | PGK1PGK2PGDMPILPAR1 | |
| SCHEMBL7341 | 0.86 | PGK1 (0.52) | PGK1PGK2PGDMPILPAR1 | |
| SCHEMBL1134754 | 0.84 | PGK1 (0.50) | PGK1PGK2PGDMPILPAR1 | |
| SCHEMBL4112816 | 0.84 | PGK1 (0.50) | PGK1PGK2PGDMPILPAR1 | |
| Water SCHEMBL11070947 | 0.84 | PGK1 (0.50) | PGK1PGK2PGDMPILPAR1 |
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-20090118220-A1 | SUBSTITUTED ADENINES AND THE USES THEREOF | ASTRAZENECA AB (SE) | 2009-05-07 | — | — | US | disclosed |
| CN-101410407-A | Substituted adenines and the uses thereof | ASTRAZENECA AB (SE) | 2009-04-15 | — | — | CN | disclosed |
| US-20090048203-A1 | SUBSTITUTED ADENINES AND THE USES THEREOF | ASTRAZENECA AB (SE) | 2009-02-19 | — | — | US | disclosed |
| EP-2010553-A1 | SUBSTITUTED ADENINES AND THE USES THEREOF | AstraZeneca AB (SE) | 2009-01-07 | — | — | EP | disclosed |
| WO-2008117047-A1 | PYRAZOLO[3, 4-D]PYRIMIDINE DERIVATIVES AS ANTIBACTERIAL COMPOUNDS | ASTRAZENECA AB (SE) | 2008-10-02 | — | — | WO | disclosed |
| WO-2008117046-A1 | PYRAZOLO [4, 3-D] PYRIMIDINES AS ANTIBACTERIAL COMPOUNDS | ASTRAZENECA AB (SE) | 2008-10-02 | — | — | WO | disclosed |
| CN-101072787-A | Substituted adenines and the use thereof | ASTRAZENECA AB (SE) | 2007-11-14 | — | — | CN | disclosed |
| WO-2007113538-A1 | SUBSTITUTED ADENINES AND THE USES THEREOF | ASTRAZENECA AB (SE) | 2007-10-11 | — | — | WO | disclosed |
| EP-1805196-A1 | SUBSTITUTED ADENINES AND THE USE THEREOF | AstraZeneca AB (SE) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006040558-A1 | SUBSTITUTED ADENINES AND THE USE THEREOF | ASTRAZENECA AB (SE) | 2006-04-20 | — | — | WO | disclosed |
| US-4252797-A | ANTIINFLAMMATORY AGENTS | ROSENTHAL WALTER | 1981-02-24 | — | — | 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 (2 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-20090048203-A1 | SUBSTITUTED ADENINES AND THE USES THEREOF | HPRT1, APRT, NUDT1 | PGK1 1416/4885PGK2 1819/4885PGD 329/4885 |
| US-20090118220-A1 | SUBSTITUTED ADENINES AND THE USES THEREOF | HPRT1, APRT, NUDT1 | PGK1 1268/4885PGK2 1750/4885PGD 347/4885 |
“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.