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 | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.49 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.67 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 1/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.49 |
| ▸ | HTR3B | O95264 | 1/20 | 0.49 |
| ▸ | HTR3A | P46098 | 1/20 | 0.49 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.49 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3538787 | 0.86 | CHRNB2 (0.87) | CHRNB2CHRNA4ALDH1A1HTR3EHTR3B | |
| SCHEMBL29507540 | 0.86 | CHRNB2 (0.87) | CHRNB2CHRNA4ALDH1A1HTR3EHTR3B | |
| SCHEMBL5335 | 0.86 | CHRNB2 (0.87) | CHRNB2CHRNA4ALDH1A1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL9066315 | 0.85 | CHRNB2 (0.84) | CHRNB2CHRNA4ALDH1A1HTR3EHTR3B | |
| Fumaric Acid SCHEMBL27471131 | 0.84 | ALDH1A1 (0.48) | CHRNB2CHRNA4ALDH1A1HSD17B10KDM4E | |
| Phenylpiperazine SCHEMBL3866050 | 0.83 | SIGMAR1 (0.71) | ALDH1A1HSD17B10KDM4ECYP3A4HTR7 | |
| Phenylpiperazine SCHEMBL3866046 | 0.83 | SIGMAR1 (0.71) | ALDH1A1HSD17B10KDM4ECYP3A4HTR7 | |
| Phenylpiperazine SCHEMBL8141187 | 0.83 | SIGMAR1 (0.71) | ALDH1A1HSD17B10KDM4ECYP3A4HTR7 | |
| Phenylpiperazine SCHEMBL8141189 | 0.83 | SIGMAR1 (0.71) | ALDH1A1HSD17B10KDM4ECYP3A4HTR7 | |
| SCHEMBL3061045 | 0.80 | CHRNB2 (1.00) | CHRNB2CHRNA4ALDH1A1ADRB2NCF1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1131211-C | Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors | NEUROSEARCH AS (DK) | 2003-12-17 | — | — | CN | disclosed |
| CN-1277604-A | Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors | NEUROSEARCH AS (DK) | 2000-12-20 | — | — | CN | disclosed |