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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 known ✓ | Q13639 | 3/20 | 0.62 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.44 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
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 SCHEMBL7300847 | 1.00 | HTR4 (0.62) | HTR4CYP1A2CYP2C9ALOX15NFKB1 | |
| SCHEMBL7293786 | 0.94 | HTR4 (0.68) | HTR4CYP1A2CYP2C9ALOX15NFKB1 | |
| SCHEMBL7601838 | 0.88 | HTR4 (0.61) | HTR4CYP1A2CYP2C9ALOX15NFKB1 | |
| Maleic Acid SCHEMBL7296976 | 0.85 | HTR4 (0.69) | HTR4CYP1A2CYP2C9ALOX15NFKB1 | |
| Fumaric Acid SCHEMBL7296980 | 0.85 | HTR4 (0.69) | HTR4CYP1A2CYP2C9ALOX15NFKB1 | |
| Maleic Acid SCHEMBL2942174 | 0.83 | HTR4 (0.90) | HTR4CYP1A2CYP2C9ALOX15NFKB1 | |
| SCHEMBL7300751 | 0.82 | HTR4 (0.73) | HTR4CYP1A2CYP2C9ALOX15NFKB1 | |
| Maleic Acid SCHEMBL7295111 | 0.82 | HTR4 (0.81) | HTR4CYP1A2CYP2C9ALOX15NFKB1 | |
| Fumaric Acid SCHEMBL7295114 | 0.82 | HTR4 (0.81) | HTR4CYP1A2CYP2C9ALOX15NFKB1 | |
| SCHEMBL9341467 | 0.81 | HTR4 (0.71) | HTR4CYP1A2CYP2C9ALOX15NFKB1 |
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-0501322-B1 | 3-Piperidinylmethylcarboxylate substituted indoles | GLAXO GROUP LTD (GB) | 1996-09-04 | — | — | EP | disclosed |
| WO-1992014727-A1 | 3-PIPERIDINYLMETHYLCARBOXYLATE SUBSTITUTED INDOLES | GLAXO GROUP LIMITED (GB) | 1992-09-03 | — | — | WO | disclosed |
| EP-0501322-A1 | 3-Piperidinylmethylcarboxylate substituted indoles | GLAXO GROUP LIMITED (GB) | 1992-09-02 | — | — | EP | disclosed |