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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
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 SCHEMBL7597431 | 1.00 | HDAC2 (0.45) | HDAC2DRD4ADRB2ADRB1ADRB3 | |
| SCHEMBL6644238 | 0.92 | ADRB2 (0.44) | HDAC2DRD4ADRB2ADRB1ADRB3 | |
| SCHEMBL6637759 | 0.79 | HTR2C (0.46) | DRD4ADRB2ADRB1ADRB3MALT1 | |
| SCHEMBL6640773 | 0.75 | PDCD1 (0.42) | HDAC2DRD4MALT1CCR3HDAC3 | |
| SCHEMBL6642772 | 0.74 | DRD4 (0.41) | HDAC2DRD4CCR3HDAC3HDAC4 | |
| SCHEMBL6636900 | 0.72 | HTR2C (0.46) | DRD4CCR3 | |
| SCHEMBL6644349 | 0.71 | DRD4 (0.40) | HDAC2DRD4CCR3HDAC3HDAC4 | |
| SCHEMBL23580357 | 0.70 | NPC1 (0.50) | DRD4ADRB2ADRB1ADRB3 | |
| SCHEMBL695325 | 0.66 | MEN1 (0.56) | DRD4CCR3 | |
| Hydrochloric Acid SCHEMBL2807810 | 0.65 | MEN1 (0.59) | DRD4CCR3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6486171-B2 | USEFUL IN THE TREATMENT OF SOME CENTRAL NERVOUS SYSTEM DISORDERS INCLUDING AS AN ANTIDEPRESSANT; 4-(1-(2-NAPHTHYL)ETHYL)-4- PIPERIDINYL)THIENO(3,2-C)PYRIDINE, FOR EXAMPLE | LES LABORATOIRES SERVIER (FR) | 2002-11-26 | — | — | US | disclosed |
| US-20020161228-A1 | Piperidine compounds | ADIR ET COMPAGNIE | 2002-10-31 | — | — | US | disclosed |
| US-6399616-B1 | 4-(4-(2-(5-(1,2,4-TRIAZOL-1-YLMETHYL)-1H-INDOL-3-YL)ETHYL)-1 -PIPERAZINYL)FURO(3,2-C)PYRIDINE; COMBINED SEROTONIN REUPTAKE INHIBITOR AND PARTIAL AGONIST OF 5-HT RECEPTORS; REDUCED LATENCY; DEPRESSION | LES LABORATOIRES SERVIER (FR) | 2002-06-04 | — | — | 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 (1 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-20020161228-A1 | Piperidine compounds | OTC, NPPA, AQP4 | ADRB2 952/4885ADRB1 1238/4885HDAC2 297/4885 |
“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.