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 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 6/20 | 0.35 |
| ▸ | CA9 | Q16790 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2402648 | 0.92 | CA2 (0.36) | LMNABLMCA2CA9CA1 | |
| Hydrochloric Acid SCHEMBL2526832 | 0.79 | TSHR (0.36) | LMNABLMCA2CA9CA1 | |
| SCHEMBL2406236 | 0.76 | CA2 (0.44) | LMNABLMCA2CA9CA1 | |
| Fumaric Acid SCHEMBL9898162 | 0.73 | TSHR (0.41) | TSHRMETAP2 | |
| Fumaric Acid SCHEMBL2435682 | 0.73 | TSHR (0.41) | TSHRMETAP2 | |
| Fumaric Acid SCHEMBL27987046 | 0.73 | TSHR (0.41) | TSHRMETAP2 | |
| Fumaric Acid SCHEMBL2435679 | 0.73 | TSHR (0.41) | TSHRMETAP2 | |
| Fumaric Acid SCHEMBL9898673 | 0.71 | TSHR (0.41) | TSHRMETAP2 | |
| Fumaric Acid SCHEMBL9898674 | 0.71 | TSHR (0.41) | TSHRMETAP2 | |
| Fumaric Acid SCHEMBL27884094 | 0.71 | TSHR (0.36) | LMNABLMCYP3A4SMN1; SMN2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2556064-A2 | PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | SANOFI (FR) | 2013-02-13 | — | — | EP | claimed |
| WO-2011109680-A2 | PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | SANOFI (FR) | 2011-09-09 | — | — | WO | claimed |
| EP-3043799-A1 | AN H3 RECEPTOR ANTAGONIST COMBINED WITH A CHOLINESTERASE INHIBITOR FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE | SANOFI (FR) | 2016-07-20 | — | — | EP | disclosed |
| WO-2015032966-A1 | AN H3 RECEPTOR ANTAGONIST COMBINED WITH A CHOLINESTERASE INHIBITOR FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE | SANOFI (FR) | 2015-03-12 | — | — | WO | disclosed |
| EP-2833887-A1 | AN H3 RECEPTOR ANTAGONIST FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE | SANOFI (FR) | 2015-02-11 | — | — | EP | disclosed |
| WO-2013150150-A1 | AN H3 RECEPTOR ANTAGONIST FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE | SANOFI (FR) | 2013-10-10 | — | — | WO | disclosed |