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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.33 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.32 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5865063 | 0.90 | CYP11B1 (0.51) | CYP19A1CYP11B1CYP11B2ASIC3OPRD1 | |
| Fumaric Acid SCHEMBL5864950 | 0.84 | CYP19A1 (0.40) | CYP19A1CYP11B1CYP11B2LMNABLM | |
| Fumaric Acid SCHEMBL5865171 | 0.83 | CYP19A1 (0.41) | CYP19A1CYP11B1CYP11B2LMNABLM | |
| Fumaric Acid SCHEMBL5864817 | 0.72 | KDM4C (0.39) | CYP19A1ASIC3OPRD1LMNAKCNH2 | |
| Fumaric Acid SCHEMBL5864807 | 0.72 | KDM4C (0.39) | CYP19A1ASIC3OPRD1LMNAKCNH2 | |
| SCHEMBL5865462 | 0.72 | CYP11B1 (0.47) | CYP19A1CYP11B1CYP11B2NOS3NOS1 | |
| SCHEMBL5865345 | 0.71 | CYP11B1 (0.49) | CYP19A1CYP11B1CYP11B2NOS3NOS1 | |
| Fumaric Acid SCHEMBL5865404 | 0.70 | ASIC3 (0.35) | ASIC3MEN1KMT2AMAPK1NPSR1 | |
| Fumaric Acid SCHEMBL5865403 | 0.70 | ASIC3 (0.35) | ASIC3MEN1KMT2AMAPK1NPSR1 | |
| Fumaric Acid SCHEMBL5865383 | 0.70 | ASIC3 (0.33) | ASIC3LMNAMEN1KMT2AALDH1A1 |
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 6 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-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 (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-20040068118-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN1, GRIN2C | KCNH2 174/4885MEN1 2517/4885KMT2A 823/4885 |
| US-20030144525-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN1, GRIN2C | KCNH2 174/4885MEN1 2517/4885KMT2A 823/4885 |
“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.