Fumaric Acid

Fumaric Acid

SCHEMBL29445792

CCC(=O)c1ccccc1O.O=C(O)/C=C/C(=O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 2/20 0.51
KMT2A known ✓ Q03164 2/20 0.51
KCNH2 known ✓ Q12809 1/20 0.51
KDM4E B2RXH2 7/20 0.51
MAPT P10636 7/20 0.51
RAB9A P51151 2/20 0.51
HSP90AB1 P08238 1/20 0.49
HPGD P15428 5/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA12 O43570 1/20 0.48
HMGB1 P09429 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL29383556 0.89 HSP90AB1 (0.59) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL111675 0.89 HSP90AB1 (0.59) KDM4EMAPTRAB9AMEN1KMT2A
Methane SCHEMBL28748613 0.87 HSP90AB1 (0.57) KDM4EMAPTRAB9AMEN1KMT2A
Salicylic Acid SCHEMBL240023 0.79 HPGD (0.78) KDM4EMAPTMEN1KMT2AHPGD
Salicylic Acid SCHEMBL27652523 0.79 HPGD (0.78) KDM4EMAPTMEN1KMT2AHPGD
Salicylic Acid SCHEMBL7299833 0.79 HPGD (0.78) KDM4EMAPTMEN1KMT2AHPGD
Salicylic Acid SCHEMBL240025 0.79 HPGD (0.78) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL11982582 0.78 HPGD (0.49) KDM4EMAPTMEN1KMT2AHSP90AB1
SCHEMBL17641364 0.77 SHBG (0.48) KDM4EMAPTMEN1KMT2AHSP90AB1
SCHEMBL8644817 0.77 MAPT (0.67) KDM4EMAPTMEN1KMT2AHPGD

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292297-A Method for preparing antiviral drug tenofovir alafenamide fumarate 福建南方制药股份有限公司 2022-04-08 CN claimed
CN-114292297-A Method for preparing antiviral drug tenofovir alafenamide fumarate 福建南方制药股份有限公司 2022-04-08 CN disclosed