Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.58 |
| ▸ | CYP17A1 | P05093 | 13/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.55 |
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 SCHEMBL4029499 | 1.00 | CYP3A4 (0.58) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL4027994 | 0.92 | CYP3A4 (0.64) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL4026634 | 0.92 | CYP3A4 (0.64) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL4029496 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL5755091 | 0.85 | CYP3A4 (0.56) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL5753009 | 0.83 | CYP3A4 (0.53) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL5678311 | 0.81 | CYP17A1 (0.61) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL7266710 | 0.80 | CYP3A4 (0.45) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL5753537 | 0.79 | CYP3A4 (0.52) | CYP3A4CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL4032742 | 0.79 | CYP3A4 (0.65) | CYP3A4CYP17A1CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6649643-B1 | Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-18 | — | — | US | disclosed |