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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 8/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.34 |
| ▸ | NPC1 | O15118 | 6/20 | 0.34 |
| ▸ | EIF4E | P06730 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL27458950 | 0.74 | CYP1A1 (0.38) | KDM4ECYP1A2ALDH1A1RAB9ASMN1; SMN2 | |
| Oxalic Acid SCHEMBL27472765 | 0.73 | EIF4E (0.43) | KDM4EALDH1A1RAB9ASMN1; SMN2NPC1 | |
| Oxalic Acid SCHEMBL27458569 | 0.72 | KDM4E (0.51) | KDM4ECYP1A2CYP3A4CYP2D6CYP2C9 | |
| Oxalic Acid SCHEMBL27501357 | 0.69 | MAPT (0.49) | KDM4ECYP1A2CYP3A4CYP2C9CYP2C19 | |
| Fumaric Acid SCHEMBL8687311 | 0.69 | HSD11B1 (0.38) | KDM4ESMN1; SMN2MAPT | |
| Fumaric Acid SCHEMBL8687315 | 0.69 | HSD11B1 (0.38) | KDM4ESMN1; SMN2MAPT | |
| SCHEMBL7434066 | 0.63 | KMT2A (0.39) | KDM4ECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12605589 | 0.62 | ALDH1A1 (0.47) | KDM4EHTTRECQLALDH1A1POLB | |
| SCHEMBL1181150 | 0.57 | PDE10A (0.44) | KDM4ECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16337558 | 0.56 | PTGER1 (0.46) | KDM4EALDH1A1POLBHPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1143364-A | 5-HT3 receptor agonist, novel thiazole derivative, and intermediate thereof | YAMANOUCHI PHARMA CO LTD (JP) | 1997-02-19 | — | — | CN | disclosed |