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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.42 |
| ▸ | JAK1 known ✓ | P23458 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
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 SCHEMBL9656759 | 1.00 | CYP1B1 (0.53) | CYP1B1CYP1A1CYP1A2MEN1KMT2A | |
| Maleic Acid SCHEMBL9654323 | 0.86 | MAPT (0.47) | CYP1B1CYP1A2MEN1KMT2ACYP3A4 | |
| Fumaric Acid SCHEMBL9654328 | 0.86 | MAPT (0.47) | CYP1B1CYP1A2MEN1KMT2ACYP3A4 | |
| Maleic Acid SCHEMBL9655896 | 0.79 | ALDH1A1 (0.52) | CYP1B1CYP1A1CYP1A2MEN1KMT2A | |
| Fumaric Acid SCHEMBL9655909 | 0.79 | ALDH1A1 (0.52) | CYP1B1CYP1A1CYP1A2MEN1KMT2A | |
| SCHEMBL10959222 | 0.76 | CYP1B1 (0.70) | CYP1B1CYP1A1CYP1A2MEN1KMT2A | |
| SCHEMBL10959228 | 0.76 | CYP1B1 (0.70) | CYP1B1CYP1A1CYP1A2MEN1KMT2A | |
| Maleic Acid SCHEMBL9656108 | 0.75 | HTR3E (0.47) | CYP1A2CYP3A4HDAC1HDAC8KDM4E | |
| Fumaric Acid SCHEMBL9656121 | 0.75 | HTR3E (0.47) | CYP1A2CYP3A4HDAC1HDAC8KDM4E | |
| Hydrochloric Acid SCHEMBL1310647 | 0.75 | KDM4E (0.43) | CYP3A4HDAC3HDAC4HDAC1HDAC7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5084474-A | Antagonist of 5-hydroxytryptamine receptors on nerves and useful for treatment of psychotic disorders, anxiety, and nausea and vomiting, compounds of imidazole | GLAXO GROUP LIMITED (GB) | 1992-01-28 | — | — | US | disclosed |
| US-5019586-A | 5-Hydroxytryptamine Receptor Antagonists | GLAXO GROUP LIMITED | 1991-05-28 | — | — | US | disclosed |
| US-4918080-A | ANXIOLYTIC AGENTS, ANTIEMETICS | GLAXO GROUP LIMITED (GB) | 1990-04-17 | — | — | US | disclosed |
| EP-0291172-A1 | Ketone derivatives | GLAXO GROUP LIMITED (GB) | 1988-11-17 | — | — | EP | disclosed |