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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.39 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.33 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
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 SCHEMBL11447589 | 0.97 | ALDH1A1 (0.37) | MEN1KMT2AALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL11332175 | 0.93 | SIGMAR1 (0.42) | MEN1KMT2AALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL11446841 | 0.89 | SIGMAR1 (0.40) | MEN1KMT2AALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL11338205 | 0.86 | MITF (0.53) | MEN1KMT2AALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL11346088 | 0.85 | SIGMAR1 (0.37) | MEN1KMT2AALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL11341133 | 0.84 | RAB9A (0.40) | MEN1KMT2AALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL11341323 | 0.83 | CNR2 (0.43) | MEN1KMT2AALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL11330943 | 0.83 | MEN1 (0.40) | MEN1KMT2AALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL11330691 | 0.83 | SIGMAR1 (0.38) | MEN1KMT2AALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL11570688 | 0.82 | BCL2A1 (0.36) | MEN1KMT2AALDH1A1RAB9ASMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4156014-A | N-(2-aminocycloheptyl)alkanoylanilides and in the treatment of depression | THE UPJOHN COMPANY (US) | 1979-05-22 | — | — | US | claimed |
| US-RE30837-E | ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-12-29 | — | — | US | disclosed |
| US-4199589-A | N-(2-Aminocycloheptyl)acylanilides and methods to treat depression | SZMUSZKOVICZ JACOB (US) | 1980-04-22 | — | — | US | disclosed |
| US-4169156-A | ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1979-09-25 | — | — | US | disclosed |
| US-4159339-A | ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1979-06-26 | — | — | US | disclosed |