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 | 0.36 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL8666594 | 1.00 | HTT (0.44) | HTTSMN1; SMN2NPC1GAAEPHX1 | |
| SCHEMBL28110614 | 0.87 | EPHX1 (0.50) | HTTEPHX1CYP2C19CA12CA1 | |
| SCHEMBL1416449 | 0.87 | EPHX1 (0.50) | HTTEPHX1CYP2C19CA12CA1 | |
| SCHEMBL113152 | 0.87 | EPHX1 (0.50) | HTTEPHX1CYP2C19CA12CA1 | |
| SCHEMBL1416705 | 0.87 | EPHX1 (0.50) | HTTEPHX1CYP2C19CA12CA1 | |
| Oxalic Acid SCHEMBL31534669 | 0.85 | EPHX1 (0.45) | HTTEPHX1CYP2C19CA12CA1 | |
| Hydrochloric Acid SCHEMBL28839888 | 0.85 | EPHX1 (0.48) | HTTEPHX1CYP2C19CA12CA1 | |
| Ammonia Solution, Strong SCHEMBL3387866 | 0.85 | EPHX1 (0.48) | HTTSMN1; SMN2EPHX1CYP2C19CA12 | |
| Water SCHEMBL27747293 | 0.85 | EPHX1 (0.48) | HTTEPHX1CYP2C19CA12CA1 | |
| SCHEMBL112091 | 0.85 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5726323-A | COMPOUNDS USEFUL FOR ALLEVIATING MEMORY DYSFUNCTIONS | HOECHST MARION ROUSSEL, INC. | 1998-03-10 | — | — | US | disclosed |
| US-5591864-A | CHEMICAL INTERMEDIATES FOR COMPOUNDS WHICH ALLEVIATE MEMORY DYSFUNCITONS | HOECHST MARION ROUSSEL, INC. (US) | 1997-01-07 | — | — | US | disclosed |
| EP-0484573-B1 | 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments | HOECHST ROUSSEL PHARMA (US) | 1996-03-13 | — | — | EP | disclosed |
| US-5260452-A | 4- and 6-carbamates related to physostigmine and intermediates for the preparation thereof | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-11-09 | — | — | US | disclosed |
| EP-0484573-A1 | 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-05-13 | — | — | EP | disclosed |
| US-5081117-A | Treatment of memory dysfunctions such as in Alzheimer's disease | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-01-14 | — | — | US | disclosed |