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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.44 |
| ▸ | POLA1 | P09884 | 1/20 | 0.42 |
| ▸ | MGMT | P16455 | 3/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 6/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.39 |
| ▸ | CDK2 | P24941 | 5/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | PNP | P00491 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29514836 | 0.88 | PDPK1 (0.56) | PDPK1GDAPOLA1MGMTCDK1 | |
| SCHEMBL215054 | 0.88 | PDPK1 (0.56) | PDPK1GDAPOLA1MGMTCDK1 | |
| SCHEMBL1074970 | 0.79 | POLA1 (0.57) | PDPK1GDAPOLA1CDK1CCNB1 | |
| SCHEMBL11222102 | 0.79 | PDPK1 (0.63) | PDPK1GDAPOLA1MGMTKDR | |
| SCHEMBL28299226 | 0.78 | POLA1 (0.53) | PDPK1GDAPOLA1CDK1CCNB1 | |
| SCHEMBL30610405 | 0.77 | CDK1 (0.53) | PDPK1GDAPOLA1CDK1CCNB1 | |
| SCHEMBL8592144 | 0.76 | PDPK1 (0.53) | PDPK1GDAMGMTKDRAURKB | |
| SCHEMBL31239223 | 0.76 | PDPK1 (0.53) | PDPK1GDAMGMTKDRAURKB | |
| SCHEMBL29620672 | 0.76 | PDPK1 (0.56) | PDPK1GDAPOLA1MGMTKDR | |
| SCHEMBL6267288 | 0.76 | PDPK1 (0.56) | PDPK1GDAPOLA1MGMTKDR |
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 |
|---|---|---|---|---|---|---|---|
| CN-110146639-A | A kind of analysis method of the novel nucleoside acids reverse transcriptase inhibitor in relation to substance | 南京正大天晴制药有限公司 | 2019-08-20 | — | — | CN | claimed |
| CN-110146639-A | A kind of analysis method of the novel nucleoside acids reverse transcriptase inhibitor in relation to substance | 南京正大天晴制药有限公司 | 2019-08-20 | — | — | CN | disclosed |