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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 SCHEMBL6937135 | 1.00 | ALDH1A1 (0.44) | ALDH1A1LMNACYP3A4SIGMAR1TSHR | |
| Fumaric Acid SCHEMBL6934233 | 0.74 | CCR5 (0.47) | ALDH1A1RAB9A | |
| Fumaric Acid SCHEMBL6934240 | 0.74 | CCR5 (0.47) | ALDH1A1RAB9A | |
| SCHEMBL6939848 | 0.73 | HRH1 (0.48) | ALDH1A1LMNASIGMAR1SMN1; SMN2MAPT | |
| SCHEMBL6001616 | 0.72 | SIGMAR1 (0.78) | ALDH1A1LMNACYP3A4SIGMAR1CYP1A2 | |
| SCHEMBL6006358 | 0.72 | LTA4H (0.44) | ALDH1A1LMNAKDM4ESMN1; SMN2MAPT | |
| SCHEMBL6937139 | 0.72 | HCAR2 (0.42) | ALDH1A1LMNACYP3A4TSHRCYP2C19 | |
| Formaldehyde SCHEMBL28095681 | 0.72 | CYP1A2 (0.38) | ALDH1A1LMNACYP3A4CYP2C19CYP1A2 | |
| SCHEMBL1556261 | 0.72 | NPC1 (0.46) | LMNACYP3A4SIGMAR1TSHRRAB9A | |
| Hydrochloric Acid SCHEMBL27511741 | 0.72 | HRH1 (0.47) | ALDH1A1LMNASIGMAR1SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1019358-B1 | 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION | PHARMACIA AB (SE) | 2003-05-07 | — | — | EP | disclosed |
| EP-1019358-A1 | NOVEL COMPOUNDS, THEIR USE AND PREPARATION | Pharmacia & Upjohn AB (SE) | 2000-07-19 | — | — | EP | disclosed |
| WO-1998043942-A1 | NOVEL COMPOUNDS, THEIR USE AND PREPARATION | PHARMACIA & UPJOHN AB (SE) | 1998-10-08 | — | — | WO | disclosed |