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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.36 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ESRRB | O95718 | 2/20 | 0.35 |
| ▸ | ESRRG | P62508 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL7865036 | 1.00 | KDM4E (0.37) | KDM4EKCNH2HRH3ESRRBESRRG | |
| Maleic Acid SCHEMBL7868007 | 0.86 | SLC9A1 (0.38) | KDM4EKCNH2HRH3ESRRBESRRG | |
| Fumaric Acid SCHEMBL7868009 | 0.86 | SLC9A1 (0.38) | KDM4EKCNH2HRH3ESRRBESRRG | |
| Maleic Acid SCHEMBL7866240 | 0.80 | KDM4E (0.39) | KDM4EKCNH2HRH3ESRRBESRRG | |
| Maleic Acid SCHEMBL7870864 | 0.80 | ALDH1A1 (0.38) | KDM4EKCNH2HRH3ALDH1A1POLB | |
| Fumaric Acid SCHEMBL7870869 | 0.80 | ALDH1A1 (0.38) | KDM4EKCNH2HRH3ALDH1A1POLB | |
| Fumaric Acid SCHEMBL7866243 | 0.80 | KDM4E (0.39) | KDM4EKCNH2HRH3ESRRBESRRG | |
| Maleic Acid SCHEMBL7864967 | 0.80 | APEX1 (0.43) | KDM4EKCNH2HRH3ESRRBESRRG | |
| Fumaric Acid SCHEMBL7864972 | 0.80 | APEX1 (0.43) | KDM4EKCNH2HRH3ESRRBESRRG | |
| Fumaric Acid SCHEMBL7864980 | 0.80 | APEX1 (0.43) | KDM4EKCNH2HRH3ESRRBESRRG |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1077213-A2 | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6046215-A | A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS | ELI LILLY AND COMPANY (US) | 2000-04-04 | — | — | US | disclosed |
| US-5846982-A | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1998-12-08 | — | — | US | disclosed |
| EP-0812826-A1 | 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1997-12-17 | — | — | EP | disclosed |