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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.32 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.32 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.32 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | BPTF | Q12830 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.34 |
| ▸ | RAF1 | P04049 | 4/20 | 0.33 |
| ▸ | BRAF | P15056 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL194071 | 0.91 | BPTF (0.40) | BPTFHTR6HTR1ASLC6A2ADRB2 | |
| SCHEMBL3767248 | 0.84 | BPTF (0.35) | KDM4EALDH1A1BPTFHTR6HTR1A | |
| Fumaric Acid SCHEMBL3767240 | 0.80 | KDM4E (0.37) | KDM4ECYP3A4HSD17B10HRH4ALDH1A1 | |
| Fumaric Acid SCHEMBL3767249 | 0.80 | KDM4E (0.37) | KDM4ECYP3A4HSD17B10HRH4ALDH1A1 | |
| SCHEMBL7914693 | 0.77 | CHRNB2 (0.44) | BPTFHTR6HTR1ASLC6A2ADRB2 | |
| SCHEMBL16094581 | 0.76 | BRAF (0.44) | RAF1BRAF | |
| SCHEMBL194070 | 0.69 | BPTF (0.40) | BPTFHTR6HTR1ASLC6A2ADRB2 | |
| Fumaric Acid SCHEMBL27601353 | 0.68 | BPTF (0.74) | KDM4ECYP3A4HSD17B10HRH4ALDH1A1 | |
| SCHEMBL195335 | 0.66 | BPTF (0.49) | KDM4ECYP3A4HSD17B10ALDH1A1BPTF | |
| SCHEMBL195203 | 0.66 | BPTF (0.51) | KDM4ECYP3A4HSD17B10ALDH1A1BPTF |
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 | KMT2A 3573/4885SLC6A2 3634/4885ADRB2 230/4885 |
| US-20100305102-A1 | HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | SULT2A1, DPYD, HRH2 | KMT2A 3003/4885SLC6A2 4258/4885ADRB2 2296/4885 |
| US-20140107103-A1 | HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | HRH2, HRH1, HRH4 | KMT2A 2988/4885SLC6A2 4319/4885ADRB2 2524/4885 |
| US-20130237527-A1 | COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS | PTGER4, PTGER1, PTGER3 | KMT2A 2847/4885SLC6A2 4354/4885ADRB2 74/4885 |
“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.