Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
The experimentally established mechanism targets of Maleic 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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HNF4A | P41235 | 1/20 | 0.39 |
| ▸ | MASP2 | O00187 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL29213830 | 1.00 | GRIN2B (0.43) | GRIN2BSLC6A2TSHRKDM4EALDH1A1 | |
| SCHEMBL25076785 | 0.94 | GRIN2B (0.47) | GRIN2BSLC6A2TSHRKDM4EALDH1A1 | |
| SCHEMBL29213808 | 0.94 | GRIN2B (0.47) | GRIN2BSLC6A2TSHRKDM4EALDH1A1 | |
| SCHEMBL25076786 | 0.94 | GRIN2B (0.47) | GRIN2BSLC6A2TSHRKDM4EALDH1A1 | |
| SCHEMBL30711242 | 0.83 | KDM4E (0.42) | GRIN2BTSHRKDM4EALDH1A1GAA | |
| Maleic Acid SCHEMBL29213825 | 0.82 | ALDH1A1 (0.42) | TSHRKDM4EALDH1A1GAAHPGD | |
| Maleic Acid SCHEMBL29213822 | 0.82 | ALDH1A1 (0.42) | TSHRKDM4EALDH1A1GAAHPGD | |
| SCHEMBL30711227 | 0.81 | CHRNB2 (0.47) | TSHRKDM4EALDH1A1GAAHPGD | |
| SCHEMBL31465048 | 0.81 | CHRNB2 (0.47) | TSHRKDM4EALDH1A1GAAHPGD | |
| SCHEMBL30711259 | 0.80 | AKR1C3 (0.44) | SLC6A2MASP2F2 |
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-118043314-A | Benzazepine heteroaromatic ring derivative and application thereof in medicine | 西藏海思科制药有限公司 | 2024-05-14 | — | — | CN | disclosed |
| WO-2023020566-A1 | BENZO NITROGEN-CONTAINING HETEROAROMATIC RING DERIVATIVE AND USE THEREOF IN MEDICINE | 四川海思科制药有限公司 | 2023-02-23 | — | — | WO | disclosed |