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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 3/20 | 0.65 |
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.39 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.34 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.34 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.34 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.33 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
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 SCHEMBL7893815 | 1.00 | HRH1 (0.65) | HRH1HTR2ALMNABLMKDM4E | |
| Fumaric Acid SCHEMBL6439581 | 0.83 | HRH1 (0.59) | HRH1HTR2ALMNABLMKDM4E | |
| SCHEMBL6031358 | 0.80 | HRH1 (0.50) | HRH1HTR2AHTR2CHTR2B | |
| Vapitadine SCHEMBL6440903 | 0.79 | HRH1 (1.00) | HRH1HTR2AHTR2CDRD2SLC6A2 | |
| Vapitadine SCHEMBL29379463 | 0.79 | HRH1 (1.00) | HRH1HTR2AHTR2CDRD2SLC6A2 | |
| Vapitadine SCHEMBL3463472 | 0.78 | HRH1 (1.00) | HRH1HTR2AHTR2CDRD2SLC6A2 | |
| SCHEMBL6030956 | 0.76 | HRH1 (0.66) | HRH1HTR2AMAPK1HTR2CDRD2 | |
| Hydrochloric Acid SCHEMBL6440622 | 0.76 | HRH1 (0.73) | HRH1HTR2AHTR2CDRD2SLC6A2 | |
| SCHEMBL7886802 | 0.75 | HRH1 (0.50) | HRH1HTR2AMAPK1HTR2CSLC6A2 | |
| SCHEMBL6031354 | 0.75 | HRH1 (0.51) | HRH1HTR2AHTR2CDRD2SLC6A2 |
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-1144411-B1 | ANTIHISTAMINIC SPIRO COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2005-04-27 | — | — | EP | claimed |
| EP-1144411-A1 | ANTIHISTAMINIC SPIRO COMPOUNDS | Janssen Pharmaceutica N.V. (BE) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000037470-A1 | ANTIHISTAMINIC SPIRO COMPOUNDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2000-06-29 | — | — | WO | disclosed |