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 | 1/20 | 0.70 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
| ▸ | BLM | P54132 | 2/20 | 0.72 |
| ▸ | MAPT | P10636 | 2/20 | 0.72 |
| ▸ | G6PD | P11413 | 1/20 | 0.72 |
| ▸ | GMNN | O75496 | 1/20 | 0.72 |
| ▸ | THRB | P10828 | 1/20 | 0.72 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.72 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.72 |
| ▸ | ACHE | P22303 | 15/20 | 0.70 |
| ▸ | BCHE | P06276 | 10/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.70 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.70 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.70 |
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 SCHEMBL9208758 | 1.00 | KDM4E (0.72) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| SCHEMBL9204867 | 0.94 | ACHE (0.77) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| SCHEMBL8199132 | 0.94 | ACHE (0.77) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| SCHEMBL9204862 | 0.94 | ACHE (0.77) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| SCHEMBL9536731 | 0.94 | KDM4E (0.72) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| Physostigmine SCHEMBL11326339 | 0.90 | ACHE (0.88) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| Physostigmine SCHEMBL11326354 | 0.90 | ACHE (0.88) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| Fumaric Acid SCHEMBL9213570 | 0.88 | ACHE (0.69) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| Fumaric Acid SCHEMBL9213575 | 0.88 | ACHE (0.69) | KDM4EALDH1A1SMN1; SMN2LMNABLM | |
| SCHEMBL10109481 | 0.88 | ACHE (0.77) | KDM4EALDH1A1SMN1; SMN2LMNABLM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0292840-B1 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | THOMAE GMBH DR K (DE) | 1995-08-09 | — | — | EP | disclosed |
| EP-0292840-A2 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |