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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 known ✓ | P51681 | 15/20 | 0.54 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 5/20 | 0.52 |
| ▸ | CCR7 | P32248 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.47 |
| ▸ | CCR4 | P51679 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 SCHEMBL6407692 | 1.00 | CCR5 (0.54) | CCR5CCR2CCR7CCR3CCR4 | |
| SCHEMBL6340941 | 0.96 | CCR5 (0.58) | CCR5CCR2CCR7CCR3CCR4 | |
| Hydrochloric Acid SCHEMBL6350443 | 0.96 | CCR5 (0.57) | CCR5CCR2CCR7CCR3CCR4 | |
| SCHEMBL6350296 | 0.94 | CCR2 (0.55) | CCR5CCR2CCR7CCR3CCR4 | |
| SCHEMBL3458957 | 0.93 | CCR5 (0.62) | CCR5CCR2CCR7CCR3CCR4 | |
| SCHEMBL3458953 | 0.93 | CCR5 (0.62) | CCR5CCR2CCR7CCR3CCR4 | |
| SCHEMBL6341653 | 0.92 | CCR2 (0.54) | CCR5CCR2CCR7CCR3CCR4 | |
| SCHEMBL6344086 | 0.92 | CCR2 (0.57) | CCR5CCR2CCR7CCR3CCR4 | |
| SCHEMBL6350730 | 0.92 | CCR2 (0.53) | CCR5CCR2CCR7CCR3CCR4 | |
| SCHEMBL6410567 | 0.92 | CCR2 (0.55) | CCR5CCR2CCR7CCR3CCR4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6936602-B1 | Benzazepine derivatives, process for the preparation of the same and uses thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-08-30 | — | — | US | disclosed |
| EP-1186604-A1 | BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-03-13 | — | — | EP | disclosed |