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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 known ✓ | P51681 | 2/20 | 0.47 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 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 SCHEMBL6934233 | 1.00 | CCR5 (0.47) | CCR5ALDH1A1MEN1KMT2AKCNA3 | |
| Hydrochloric Acid SCHEMBL6938293 | 0.87 | ALDH1A1 (0.51) | CCR5ALDH1A1MEN1KMT2AKCNA3 | |
| Fumaric Acid SCHEMBL6939350 | 0.77 | MAOB (0.48) | CCR5ALDH1A1KCNA3 | |
| Fumaric Acid SCHEMBL6939360 | 0.77 | MAOB (0.48) | CCR5ALDH1A1KCNA3 | |
| Fumaric Acid SCHEMBL6937135 | 0.74 | ALDH1A1 (0.44) | ALDH1A1RAB9A | |
| Fumaric Acid SCHEMBL6937142 | 0.74 | ALDH1A1 (0.44) | ALDH1A1RAB9A | |
| SCHEMBL1555686 | 0.73 | HTR1A (0.65) | ALDH1A1MEN1KMT2ARAB9A | |
| Fumaric Acid SCHEMBL11848804 | 0.72 | CCR2 (0.59) | CCR5ALDH1A1KMT2AKCNA3CCR2 | |
| Fumaric Acid SCHEMBL11848798 | 0.72 | CCR2 (0.59) | CCR5ALDH1A1KMT2AKCNA3CCR2 | |
| Fenpiprane SCHEMBL24507 | 0.72 | ALDH1A1 (0.66) | ALDH1A1KCNA3CCR2OPRL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1019358-B1 | 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION | PHARMACIA AB (SE) | 2003-05-07 | — | — | EP | disclosed |
| US-6313132-B1 | FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER | PHARMACIA AB (SE) | 2001-11-06 | — | — | US | disclosed |
| EP-1019358-A1 | NOVEL COMPOUNDS, THEIR USE AND PREPARATION | Pharmacia & Upjohn AB (SE) | 2000-07-19 | — | — | EP | disclosed |
| WO-1998043942-A1 | NOVEL COMPOUNDS, THEIR USE AND PREPARATION | PHARMACIA & UPJOHN AB (SE) | 1998-10-08 | — | — | WO | disclosed |