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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 4/20 | 0.52 |
| ▸ | ADRA2B known ✓ | P18089 | 4/20 | 0.52 |
| ▸ | ADRA2C known ✓ | P18825 | 4/20 | 0.52 |
| ▸ | ADRA1D known ✓ | P25100 | 2/20 | 0.52 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.52 |
| ▸ | ADRA1B known ✓ | P35368 | 2/20 | 0.52 |
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.38 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.38 |
| ▸ | HTR1D | P28221 | 3/20 | 0.38 |
| ▸ | HTR1B | P28222 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9317284 | 1.00 | ADRA2A (0.52) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL9316660 | 0.90 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Fumaric Acid SCHEMBL9316600 | 0.83 | ADRA2A (0.49) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Maleic Acid SCHEMBL9316596 | 0.83 | ADRA2A (0.49) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Maleic Acid SCHEMBL9316993 | 0.82 | ADRA2A (0.55) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Fumaric Acid SCHEMBL9317005 | 0.82 | ADRA2A (0.55) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Fumaric Acid SCHEMBL8911436 | 0.80 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Maleic Acid SCHEMBL8910503 | 0.80 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Fumaric Acid SCHEMBL8910514 | 0.80 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| Maleic Acid SCHEMBL8911429 | 0.80 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CADRA1DADRA1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0603314-A4 | CHEMICAL COMPOUNDS. | SMITHKLINE BEECHAM CORP (US) | 1994-08-24 | — | — | EP | disclosed |
| EP-0603314-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-06-29 | — | — | EP | disclosed |
| WO-1993004686-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-03-18 | — | — | WO | disclosed |