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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.42 |
| ▸ | KMT2A known ✓ | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL7255805 | 0.85 | CYP2A6 (0.45) | HRH1KDM4EALDH1A1CYP2A6POLB | |
| SCHEMBL21479447 | 0.73 | ALOX15 (0.40) | HRH1KDM4EALDH1A1POLBHSD17B10 | |
| SCHEMBL4228551 | 0.72 | CYP2A6 (0.43) | HRH1CYP2A6HSD17B10TSHRCYP1A2 | |
| Formic Acid SCHEMBL27997365 | 0.72 | TRIM24 (0.39) | RAB9AHSP90AA1KMT2AMEN1KDM4E | |
| SCHEMBL7424121 | 0.71 | — | — | |
| SCHEMBL2627037 | 0.71 | CYP2A6 (0.52) | KMT2AMEN1CYP2A6TDP1CYP3A4 | |
| Maleic Acid SCHEMBL29618262 | 0.70 | CRBN (0.48) | — | |
| SCHEMBL8348677 | 0.69 | — | — | |
| SCHEMBL17413659 | 0.69 | DRD2 (0.42) | HRH1HSP90AA1KDM4ETDP1CYP3A4 | |
| SCHEMBL7255918 | 0.69 | HRH1 (0.45) | HRH1KMT2AMEN1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118837469-A | Analysis and detection method and application of genotoxic impurities in rupatadine fumarate | 哈尔滨珍宝制药有限公司 | 2024-10-25 | — | — | CN | disclosed |
| CN-114133353-B | Rupatadine fumarate intermediate and preparation method of rupatadine fumarate | 重庆华邦制药有限公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-114920727-B | Preparation method of rupatadine | 重庆华邦制药有限公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-114920727-A | Preparation method of rupatadine | 重庆华邦制药有限公司 | 2022-08-19 | — | — | CN | disclosed |
| CN-114133353-A | Rupatadine fumarate intermediate and preparation method of rupatadine fumarate | 重庆华邦制药有限公司 | 2022-03-04 | — | — | CN | disclosed |