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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.41 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL6589328 | 1.00 | RXFP1 (0.56) | RXFP1SLC6A2SMN1; SMN2MEN1MAPT | |
| SCHEMBL6586651 | 0.92 | RXFP1 (0.61) | RXFP1SMN1; SMN2MEN1MAPTKMT2A | |
| Fumaric Acid SCHEMBL6588746 | 0.84 | RXFP1 (0.60) | RXFP1SLC6A2MEN1KMT2ATSHR | |
| Fumaric Acid SCHEMBL6588742 | 0.84 | RXFP1 (0.60) | RXFP1SLC6A2MEN1KMT2ATSHR | |
| SCHEMBL6587023 | 0.82 | RXFP1 (0.59) | RXFP1SMN1; SMN2MEN1MAPTKMT2A | |
| SCHEMBL6589332 | 0.76 | RXFP1 (0.49) | RXFP1SMN1; SMN2TSHRKDM4ETP53 | |
| SCHEMBL6589296 | 0.74 | RXFP1 (0.66) | RXFP1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL6589132 | 0.72 | RXFP1 (0.53) | RXFP1SMN1; SMN2TSHRKDM4ETP53 | |
| SCHEMBL24077131 | 0.70 | TP53 (0.40) | RXFP1SMN1; SMN2MEN1MAPTKMT2A | |
| SCHEMBL24077136 | 0.69 | BACE1 (0.43) | RXFP1SMN1; SMN2MEN1MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0703232-B1 | 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors | AVENTIS PHARMA INC (US) | 2004-06-30 | — | — | EP | claimed |
| US-5567718-A | PSYCHOLOGICAL DISORDERS | HOECHST MARION ROUSSEL INC. (US) | 1996-10-22 | — | — | US | claimed |
| EP-0703232-A2 | 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1996-03-27 | — | — | EP | claimed |
| EP-0703232-B1 | 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors | AVENTIS PHARMA INC (US) | 2004-06-30 | — | — | EP | disclosed |
| US-5874458-A | PSYCHOLOGICAL DISORDERS | HOECHST MARION ROUSSEL INC. (US) | 1999-02-23 | — | — | US | disclosed |
| US-5874583-A | TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDER, STUTTERING, TRICHOTILLOMANIA | HOECHST MARION ROUSSEL INC. (US) | 1999-02-23 | — | — | US | disclosed |
| US-5869685-A | SEROTONIN REUPTAKE INHIBITORS | HOECHST MARION ROUSSEL INC. (US) | 1999-02-09 | — | — | US | disclosed |
| US-5869502-A | TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDER, STUTTERING, TRICHOTILLOMANIA | HOECHST MARION ROUSSEL INC. (US) | 1999-02-09 | — | — | US | disclosed |
| US-5567718-A | PSYCHOLOGICAL DISORDERS | HOECHST MARION ROUSSEL INC. (US) | 1996-10-22 | — | — | US | disclosed |
| EP-0703232-A2 | 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1996-03-27 | — | — | EP | disclosed |