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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.33 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.33 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR1E | P28566 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 3/20 | 0.33 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.33 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9195922 | 0.89 | ALDH1A1 (0.67) | ALDH1A1KMT2AHPGDKDM4ECAPN1 | |
| Fumaric Acid SCHEMBL6110945 | 0.77 | PARP1 (0.41) | ALDH1A1KMT2AHPGDKDM4ECAPN1 | |
| Maleic Acid SCHEMBL6110937 | 0.77 | PARP1 (0.41) | ALDH1A1KMT2AHPGDKDM4ECAPN1 | |
| SCHEMBL830377 | 0.75 | ALDH1A1 (1.00) | ALDH1A1KMT2AHPGDKDM4ECAPN1 | |
| SCHEMBL28343472 | 0.71 | ALDH1A1 (0.58) | ALDH1A1KMT2ACAPN1 | |
| Fumaric Acid SCHEMBL28211218 | 0.71 | CAPN1 (0.49) | ALDH1A1KMT2AKDM4ECAPN1LMNA | |
| SCHEMBL27189394 | 0.70 | ALDH1A1 (0.67) | ALDH1A1KMT2ACAPN1 | |
| SCHEMBL7705143 | 0.67 | ALDH1A1 (0.43) | ALDH1A1KMT2AHPGDKDM4ECAPN1 | |
| SCHEMBL28343469 | 0.67 | ALDH1A1 (0.43) | ALDH1A1KMT2ACAPN1 | |
| SCHEMBL28343614 | 0.67 | ALDH1A1 (0.43) | ALDH1A1KMT2ACAPN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026070-A | Novel maleate crystal form of fused pyridine derivative and application thereof | 贝达药业股份有限公司 | 2018-05-11 | — | — | CN | disclosed |