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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.37 |
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 SCHEMBL4803469 | 1.00 | EPHX2 (0.55) | EPHX2MTNR1AMTNR1BGAAMAPT | |
| Maleic Acid SCHEMBL4803444 | 1.00 | EPHX2 (0.55) | EPHX2MTNR1AMTNR1BGAAMAPT | |
| SCHEMBL4798460 | 0.87 | EPHX2 (0.56) | EPHX2MTNR1AMTNR1BSIGMAR1MAPK1 | |
| SCHEMBL4798922 | 0.87 | EPHX2 (0.56) | EPHX2MTNR1AMTNR1BSIGMAR1MAPK1 | |
| Fumaric Acid SCHEMBL11636694 | 0.86 | EPHX2 (0.44) | EPHX2MTNR1AMTNR1BLMNABLM | |
| Fumaric Acid SCHEMBL11636702 | 0.86 | EPHX2 (0.44) | EPHX2MTNR1AMTNR1BLMNABLM | |
| SCHEMBL429344 | 0.78 | EPHX2 (0.66) | EPHX2MTNR1AMTNR1BGAAMAPT | |
| SCHEMBL8562856 | 0.77 | EPHX2 (0.65) | EPHX2MTNR1AMTNR1BGAAMAPT | |
| SCHEMBL8562858 | 0.77 | EPHX2 (0.65) | EPHX2MTNR1AMTNR1BGAAMAPT | |
| SCHEMBL8562865 | 0.77 | EPHX2 (0.65) | EPHX2MTNR1AMTNR1BGAAMAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE40278-E1 | Heterocyclic amines having central nervous system activity | PHARMACIA & UPJOHN COMPANY (US) | 2008-04-29 | — | — | US | claimed |
| US-20010009916-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | ROMERO ARTHUR G (US) | 2001-07-26 | — | — | US | claimed |
| US-RE40278-E1 | Heterocyclic amines having central nervous system activity | PHARMACIA & UPJOHN COMPANY (US) | 2008-04-29 | — | — | US | disclosed |
| US-7074927-B2 | Heterocyclic amines having central nervous system activity | PHARMACIA & UPJOHN COMPANY (US) | 2006-07-11 | — | — | US | disclosed |
| US-20050107378-A1 | Heterocyclic amines having central nervous system activity | ROMERO ARTHUR G (US) | 2005-05-19 | — | — | US | disclosed |
| US-RE38452-E1 | SUITABLE FOR TREATING ANXIOLYTIC DISORDER, SCHIZOPHRENIA, PARKINSON'S DISEASE, ANXIETY | PHARMACIA & UPJOHN COMPANY | 2004-03-02 | — | — | US | disclosed |
| US-20010009916-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | ROMERO ARTHUR G (US) | 2001-07-26 | — | — | US | disclosed |
| US-5652245-A | Heterocyclic amines having central nervous system activity | PHARMACIA & UPJOHN COMPANY (US) | 1997-07-29 | — | — | US | disclosed |
| EP-0724584-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | PHARMACIA & UPJOHN COMPANY (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995004056-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1995-02-09 | — | — | 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-20010009916-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | CNR1, CNR2, OPRD1 | EPHX2 3642/4885MTNR1A 64/4885MTNR1B 91/4885 |
| US-20050107378-A1 | Heterocyclic amines having central nervous system activity | CNR1, CNR2, NPY2R | EPHX2 3891/4885MTNR1A 77/4885MTNR1B 109/4885 |
“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.