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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.38 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 SCHEMBL2394431 | 1.00 | ALDH1A1 (0.39) | ALDH1A1LMNAKDM4ECYP2C19RAB9A | |
| Fumaric Acid SCHEMBL2393031 | 1.00 | ALDH1A1 (0.39) | ALDH1A1LMNAKDM4ECYP2C19RAB9A | |
| Fumaric Acid SCHEMBL2393041 | 1.00 | ALDH1A1 (0.39) | ALDH1A1LMNAKDM4ECYP2C19RAB9A | |
| Fumaric Acid SCHEMBL2394423 | 1.00 | ALDH1A1 (0.39) | ALDH1A1LMNAKDM4ECYP2C19RAB9A | |
| Fumaric Acid SCHEMBL2392534 | 1.00 | ALDH1A1 (0.39) | ALDH1A1LMNAKDM4ECYP2C19RAB9A | |
| SCHEMBL2395646 | 0.89 | NFE2L2 (0.38) | ALDH1A1KDM4ERAB9AKMT2ANFE2L2 | |
| SCHEMBL2396389 | 0.89 | NFE2L2 (0.38) | ALDH1A1KDM4ERAB9AKMT2ANFE2L2 | |
| SCHEMBL2398666 | 0.89 | NFE2L2 (0.38) | ALDH1A1KDM4ERAB9AKMT2ANFE2L2 | |
| Fumaric Acid SCHEMBL2392959 | 0.88 | LMNA (0.45) | ALDH1A1LMNAKDM4ECYP2C19RAB9A | |
| Fumaric Acid SCHEMBL2398630 | 0.88 | LMNA (0.45) | ALDH1A1LMNAKDM4ECYP2C19RAB9A |
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-20120115913-A1 | Ethanamine Compounds and Methods of Using the Same | BALESTRA MICHAEL (US) | 2012-05-10 | — | — | US | claimed |
| EP-2610246-A1 | Ethanamine compounds and methods of using the same | AstraZeneca AB (SE) | 2013-07-03 | — | — | EP | disclosed |
| US-20130137731-A1 | ETHANAMINE COMPOUNDS AND METHODS OF USING THE SAME | ASTRAZENECA AB (SE) | 2013-05-30 | — | — | US | disclosed |
| US-20120277272-A1 | Ethanamine Compounds and Methods of Using the Same | ASTRAZENECA AB (SE) | 2012-11-01 | — | — | US | disclosed |
| US-20120115913-A1 | Ethanamine Compounds and Methods of Using the Same | BALESTRA MICHAEL (US) | 2012-05-10 | — | — | US | disclosed |
| US-8013165-B2 | Ethanamine compounds and methods of using the same 545 | ASTRAZENECA AB (SE) | 2011-09-06 | — | — | US | disclosed |
| US-20100179199-A1 | Ethanamine Compounds and Methods of Using the Same 545 | ASTRAZENECA AB (SE) | 2010-07-15 | — | — | 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-20120115913-A1 | Ethanamine Compounds and Methods of Using the Same | PNMT, HTR5A, TPH2 | KMT2A 295/4885MEN1 1584/4885DPP4 1007/4885 |
| US-20120277272-A1 | Ethanamine Compounds and Methods of Using the Same | PNMT, TPH1, TPH2 | KMT2A 143/4885MEN1 658/4885DPP4 965/4885 |
| US-20130137731-A1 | ETHANAMINE COMPOUNDS AND METHODS OF USING THE SAME | TPH1, TPH2, PNMT | KMT2A 348/4885MEN1 1656/4885DPP4 1008/4885 |
| US-20100179199-A1 | Ethanamine Compounds and Methods of Using the Same 545 | HTR5A, PNMT, GRIK5 | KMT2A 460/4885MEN1 1880/4885DPP4 1169/4885 |
“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.