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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.61 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.61 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 7/20 | 0.48 |
| ▸ | ACHE | P22303 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 4/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9219912 | 0.92 | HRH3 (0.71) | HRH3KCNH2ACKR3LTA4HMAOB | |
| SCHEMBL9212788 | 0.75 | HRH3 (0.78) | HRH3KCNH2ACKR3LTA4HMEN1 | |
| SCHEMBL9217275 | 0.72 | HRH3 (0.65) | HRH3KCNH2ACKR3LTA4H | |
| SCHEMBL9214015 | 0.72 | HRH3 (0.65) | HRH3KCNH2ACKR3LTA4H | |
| SCHEMBL9213571 | 0.70 | HRH3 (0.65) | HRH3KCNH2ACKR3LTA4HKDM4E | |
| SCHEMBL9668080 | 0.70 | HRH3 (0.68) | HRH3KCNH2ACKR3LTA4HKDM4E | |
| SCHEMBL10896333 | 0.70 | HRH3 (0.67) | HRH3MAOBKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL9211677 | 0.70 | HRH3 (0.65) | HRH3KCNH2ACKR3LTA4H | |
| SCHEMBL9211253 | 0.70 | HRH3 (0.65) | HRH3KCNH2ACKR3LTA4H | |
| SCHEMBL3574322 | 0.70 | HRH3 (0.86) | HRH3KCNH2ACHE |
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-0320032-B1 | Pyridizinamine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-01-18 | — | — | EP | disclosed |
| US-5106973-A | Viricide intermediates | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-04-21 | — | — | US | disclosed |
| US-4992433-A | Viricides | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-02-12 | — | — | US | disclosed |