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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | CCKBR | P32239 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 SCHEMBL10372423 | 1.00 | HDAC3 (0.39) | HDAC3HDAC1HDAC6HDAC8CCKBR | |
| Tampramine SCHEMBL636616 | 0.97 | HDAC3 (0.39) | HDAC3HDAC1HDAC6HDAC8CCKBR | |
| Tampramine SCHEMBL120541 | 0.97 | HDAC3 (0.39) | HDAC3HDAC1HDAC6HDAC8CCKBR | |
| Fumaric Acid SCHEMBL10372241 | 0.93 | CCKBR (0.43) | CCKBRKDM4EALDH1A1CYP3A4TSHR | |
| Fumaric Acid SCHEMBL10375082 | 0.93 | CCKBR (0.43) | CCKBRKDM4EALDH1A1CYP3A4TSHR | |
| Fumaric Acid SCHEMBL10850874 | 0.93 | KDM4E (0.37) | HDAC3HDAC1HDAC6HDAC8CCKBR | |
| Fumaric Acid SCHEMBL10850882 | 0.93 | KDM4E (0.37) | HDAC3HDAC1HDAC6HDAC8CCKBR | |
| SCHEMBL10635380 | 0.92 | HDAC3 (0.37) | HDAC3HDAC1HDAC6HDAC8CCKBR | |
| Fumaric Acid SCHEMBL10371757 | 0.92 | CCKBR (0.38) | HDAC3HDAC1HDAC6HDAC8CCKBR | |
| Fumaric Acid SCHEMBL10371756 | 0.92 | CCKBR (0.38) | HDAC3HDAC1HDAC6HDAC8CCKBR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0076017-B1 | PHENYL SUBSTITUTED PYRIDO(1,4)BENZODIAZEPINES AND INTERMEDIATES THEREFOR | A.H. ROBINS COMPANY, INCORPORATED (US) | 1990-08-16 | — | — | EP | disclosed |
| US-4698430-A | ANTIDEPRESSANT | A. H. ROBINS COMPANY, INC. (US) | 1987-10-06 | — | — | US | disclosed |
| US-4668675-A | ANTIDEPRESSANTS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1987-05-26 | — | — | US | disclosed |
| US-4556667-A | (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONE INTERMEDIATES | A. H. ROBINS COMPANY, INCORPORATED (US) | 1985-12-03 | — | — | US | disclosed |
| US-4495183-A | ANTIULCER AGENTS- GASTROLINTESTINAL DISORDERS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1985-01-22 | — | — | US | disclosed |
| US-4447361-A | ANTIDEPRESSANT | A. H. ROBINS COMPANY, INC. (US) | 1984-05-08 | — | — | US | disclosed |
| EP-0099614-A2 | Nitro, amino and aroylamino-N-phenylpyridinamines and their use in a process for preparing pyrido(1,4)benzodiazapines | A.H. ROBINS COMPANY, INCORPORATED (US) | 1984-02-01 | — | — | EP | disclosed |
| EP-0076017-A2 | Phenyl substituted pyrido(1,4)benzodiazepines and intermediates therefor | A.H. ROBINS COMPANY, INCORPORATED (US) | 1983-04-06 | — | — | EP | disclosed |