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 | 0.41 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
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 SCHEMBL8901874 | 1.00 | HTT (0.47) | HTTSMN1; SMN2NPC1GAATP53 | |
| Maleic Acid SCHEMBL27738908 | 0.98 | SMN1; SMN2 (0.44) | HTTSMN1; SMN2NPC1GAATP53 | |
| Fumaric Acid SCHEMBL27442919 | 0.98 | SMN1; SMN2 (0.44) | HTTSMN1; SMN2NPC1GAATP53 | |
| Fumaric Acid SCHEMBL27464589 | 0.96 | HTT (0.42) | HTTSMN1; SMN2NPC1GAATP53 | |
| Fumaric Acid SCHEMBL11773259 | 0.86 | SMN1; SMN2 (0.39) | HTTSMN1; SMN2NPC1GAATP53 | |
| Oxalic Acid SCHEMBL8899573 | 0.84 | CHRNB2 (0.41) | SMN1; SMN2LMNATSHRCHRNB2CHRNB4 | |
| Oxalic Acid SCHEMBL8899578 | 0.84 | CHRNB2 (0.41) | SMN1; SMN2LMNATSHRCHRNB2CHRNB4 | |
| Biphenyl SCHEMBL4308447 | 0.84 | HTT (0.56) | HTTSMN1; SMN2NPC1GAATP53 | |
| Maleic Acid SCHEMBL28396018 | 0.84 | HTT (0.56) | HTTSMN1; SMN2NPC1GAATP53 | |
| Fumaric Acid SCHEMBL29080582 | 0.84 | HTT (0.56) | HTTSMN1; SMN2NPC1GAATP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5602167-A | 4-arylcyclohepta[c] pyrrole analgesics | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-02-11 | — | — | US | disclosed |
| WO-1996036604-A1 | 4-ARYLCYCLOHEPTA[c]PYRROLE ANALGESICS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-11-21 | — | — | WO | disclosed |
| US-5523412-A | AN UNSUBSTITUTED OR N-ALKYL- OR CYCLOALKYL-SUBSTITUTED PERHYDROCYCLOHEPTA(C)PYRROL-4-ONE | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-06-04 | — | — | US | disclosed |