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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 1.00 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 1.00 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 1.00 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 1.00 |
| ▸ | HTR2C known ✓ | P28335 | 3/20 | 0.82 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.82 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 1.00 |
| ▸ | GMNN | O75496 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 1/20 | 1.00 |
| ▸ | PMP22 | Q01453 | 1/20 | 1.00 |
| ▸ | HTR3E | A5X5Y0 | 6/20 | 0.82 |
| ▸ | HTR3B | O95264 | 6/20 | 0.82 |
| ▸ | HTR3A | P46098 | 6/20 | 0.82 |
| ▸ | HTR3D | Q70Z44 | 6/20 | 0.82 |
| ▸ | HTR3C | Q8WXA8 | 6/20 | 0.82 |
| ▸ | HTR1D | P28221 | 2/20 | 0.82 |
| ▸ | TP53 | P04637 | 1/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.82 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL29931110 | 1.00 | KDM4E (1.00) | KDM4EADRB2ADRA2AMEN1GMNN | |
| Maleic Acid SCHEMBL7746196 | 1.00 | KDM4E (1.00) | KDM4EADRB2ADRA2AMEN1GMNN | |
| Maleic Acid SCHEMBL30011289 | 1.00 | KDM4E (1.00) | KDM4EADRB2ADRA2AMEN1GMNN | |
| SCHEMBL29390362 | 0.91 | HTR3E (1.00) | KDM4EADRB2ADRA2AMEN1GMNN | |
| SCHEMBL1660466 | 0.91 | HTR3E (1.00) | KDM4EADRB2ADRA2AMEN1GMNN | |
| SCHEMBL7739824 | 0.77 | KDM4E (0.63) | KDM4EADRB2ADRA2AMEN1GMNN | |
| SCHEMBL8572077 | 0.75 | HTR3E (1.00) | KDM4EADRB2ADRA2AMEN1GMNN | |
| SCHEMBL8562727 | 0.74 | HTR3E (0.75) | KDM4EADRB2ADRA2AMEN1GMNN | |
| SCHEMBL22796308 | 0.73 | LMNA (0.57) | KDM4EADRB2ADRA2AMEN1GMNN | |
| SCHEMBL8570795 | 0.72 | HTR3E (0.72) | KDM4EADRB2ADRA2AMEN1GMNN |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001015677-A2 | USE OF 5-HT1B/1D AGONISTS TO TREAT OTIC PAIN | ALCON LABORATORIES, INC. (US) | 2001-03-08 | — | — | WO | claimed |
| WO-1997044062-A1 | THE USE OF 5-HT1B/1D AGONISTS TO TREAT OCULAR PAIN | ALCON LABORATORIES, INC. (US) | 1997-11-27 | — | — | WO | claimed |
| CN-103429235-A | Compounds for treating cancer and uses thereof | LAI HUNG-CHENG | 2013-12-04 | — | — | CN | disclosed |
| WO-2012079232-A1 | COMPOUNDS USED FOR TREATING CANCER AND THE USE THEREOF | LAI HUNG-CHENG (CN) | 2012-06-21 | — | — | WO | disclosed |
| WO-2001015677-A2 | USE OF 5-HT1B/1D AGONISTS TO TREAT OTIC PAIN | ALCON LABORATORIES, INC. (US) | 2001-03-08 | — | — | WO | disclosed |
| WO-1997044062-A1 | THE USE OF 5-HT1B/1D AGONISTS TO TREAT OCULAR PAIN | ALCON LABORATORIES, INC. (US) | 1997-11-27 | — | — | WO | disclosed |