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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.34 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL5865549 | 1.00 | CYP11B2 (0.48) | CYP11B2CYP11B1CYP19A1PTGS2KDM4C | |
| SCHEMBL5865162 | 0.90 | CYP11B2 (0.54) | CYP11B2CYP11B1CYP19A1PTGS2KDM4E | |
| Fumaric Acid SCHEMBL5865311 | 0.84 | HRH1 (0.36) | KDM4CHTR2ALMNATYMS | |
| Fumaric Acid SCHEMBL5865308 | 0.84 | HRH1 (0.36) | KDM4CHTR2ALMNATYMS | |
| Fumaric Acid SCHEMBL27590119 | 0.84 | HRH1 (0.36) | KDM4CHTR2ALMNATYMS | |
| Fumaric Acid SCHEMBL5864807 | 0.79 | KDM4C (0.39) | CYP19A1KDM4CKDM4ENPSR1ALDH1A1 | |
| Fumaric Acid SCHEMBL5864817 | 0.79 | KDM4C (0.39) | CYP19A1KDM4CKDM4ENPSR1ALDH1A1 | |
| SCHEMBL5865544 | 0.78 | CYP11B2 (0.47) | CYP11B2CYP11B1CYP19A1PTGS2KDM4E | |
| Fumaric Acid SCHEMBL5865404 | 0.75 | ASIC3 (0.35) | KDM4CMAPK1NPSR1MAPT | |
| Fumaric Acid SCHEMBL5865403 | 0.75 | ASIC3 (0.35) | KDM4CMAPK1NPSR1MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7034044-B2 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. (US) | 2006-04-25 | — | — | US | disclosed |
| US-20060058354-A1 | Conjugated aromatic compounds with a pyridine substituent | ALANINE ALEXANDER | 2006-03-16 | — | — | US | disclosed |
| US-6951875-B2 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. (US) | 2005-10-04 | — | — | US | disclosed |
| EP-1443926-A1 | PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-11 | — | — | EP | disclosed |
| US-20040068118-A1 | Conjugated aromatic compounds with a pyridine substituent | ALANINE ALEXANDER (FR) | 2004-04-08 | — | — | US | disclosed |
| US-20030144525-A1 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. | 2003-07-31 | — | — | US | disclosed |
| WO-2003037333-A1 | PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-08 | — | — | 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-20040068118-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN1, GRIN2C | HTR2A 275/4885HTR2C 234/4885KCNH2 174/4885 |
| US-20030144525-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN1, GRIN2C | HTR2A 275/4885HTR2C 234/4885KCNH2 174/4885 |
| US-20060058354-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN3A, GRIN2C | HTR2A 326/4885HTR2C 291/4885KCNH2 195/4885 |
“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.