Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 8/20 | 0.35 |
| ▸ | SLC6A4 known ✓ | P31645 | 7/20 | 0.35 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.35 |
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.32 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.32 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.31 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.31 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | BPTF | Q12830 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 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 SCHEMBL3767240 | 1.00 | KDM4E (0.37) | KDM4ECYP3A4HSD17B10HRH4SLC6A2 | |
| SCHEMBL194070 | 0.91 | BPTF (0.40) | SLC6A2BPTFHTR3EHTR3BHTR3A | |
| Fumaric Acid SCHEMBL3767244 | 0.80 | KDM4E (0.37) | KDM4ECYP3A4HSD17B10HRH4SLC6A2 | |
| SCHEMBL3767248 | 0.73 | BPTF (0.35) | KDM4ESLC6A2ALDH1A1BPTFHTR3E | |
| SCHEMBL194071 | 0.69 | BPTF (0.40) | SLC6A2BPTFHTR3EHTR3BHTR3A | |
| Fumaric Acid SCHEMBL27601353 | 0.68 | BPTF (0.74) | KDM4ECYP3A4HSD17B10HRH4NPSR1 | |
| SCHEMBL7914693 | 0.68 | CHRNB2 (0.44) | SLC6A2BPTFHTR3EHTR3BHTR3A | |
| Fumaric Acid SCHEMBL3873157 | 0.67 | HTR6 (0.54) | KDM4ECYP3A4HSD17B10SLC6A2SLC6A4 | |
| Fumaric Acid SCHEMBL7648541 | 0.67 | HTR6 (0.54) | KDM4ECYP3A4HSD17B10SLC6A2SLC6A4 | |
| Fumaric Acid SCHEMBL3873156 | 0.67 | HTR6 (0.54) | KDM4ECYP3A4HSD17B10SLC6A2SLC6A4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115142-B2 | Heterocycle-substituted piperazino-dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-08-25 | — | — | US | disclosed |
| US-8877758-B2 | Combinations of medicaments, containing PDE4-inhibitors and EP4-receptor-antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-04 | — | — | US | disclosed |
| US-8759326-B2 | Drug combinations containing PDE4 inhibitors and NSAIDs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-06-24 | — | — | US | disclosed |
| US-20140107103-A1 | HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-04-17 | — | — | US | disclosed |
| US-20140031343-A1 | DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-30 | — | — | US | disclosed |
| US-8637519-B2 | Heterocycle-substituted piperazino-dihydrothienopyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-28 | — | — | US | disclosed |
| US-8592400-B2 | Drug combinations containing PDE4 inhibitors and NSAIDs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-11-26 | — | — | US | disclosed |
| US-20130237527-A1 | COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-09-12 | — | — | US | disclosed |
| US-20100305102-A1 | HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-02 | — | — | 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-20140031343-A1 | DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS | PTGER4, PDE4A, PDE12 | SLC6A2 3634/4885SLC6A4 1357/4885SLC6A3 3134/4885 |
| US-20100305102-A1 | HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | SULT2A1, DPYD, HRH2 | SLC6A2 4258/4885SLC6A4 3244/4885SLC6A3 3707/4885 |
| US-20140107103-A1 | HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | HRH2, HRH1, HRH4 | SLC6A2 4319/4885SLC6A4 3264/4885SLC6A3 3861/4885 |
| US-20130237527-A1 | COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS | PTGER4, PTGER1, PTGER3 | SLC6A2 4354/4885SLC6A4 2422/4885SLC6A3 4345/4885 |
“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.