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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 15/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5699238 | 0.92 | ABCB1 (0.44) | ABCB1MAPK1SMN1; SMN2CYP2D6TSHR | |
| SCHEMBL5699325 | 0.92 | ABCB1 (0.44) | ABCB1MAPK1SMN1; SMN2CYP2D6TSHR | |
| SCHEMBL5699270 | 0.92 | ABCB1 (0.44) | ABCB1MAPK1SMN1; SMN2CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL3559483 | 0.91 | CYP2D6 (0.43) | ABCB1MAPK1ALDH1A1SMN1; SMN2CYP2D6 | |
| Hydrochloric Acid SCHEMBL5699250 | 0.91 | CYP2D6 (0.43) | ABCB1MAPK1ALDH1A1SMN1; SMN2CYP2D6 | |
| SCHEMBL6076089 | 0.87 | ABCB1 (0.44) | ABCB1MAPK1ALDH1A1LMNAMAPT | |
| SCHEMBL3572645 | 0.84 | ABCB1 (0.47) | ABCB1MAPK1CYP2D6TSHRHIF1A | |
| Hydrochloric Acid SCHEMBL28996182 | 0.83 | ABCB1 (0.47) | ABCB1MAPK1ALDH1A1CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL3572119 | 0.81 | ABCB1 (0.34) | ABCB1MAPK1ALDH1A1HTTSMN1; SMN2 | |
| Arimoclomol SCHEMBL5699243 | 0.80 | HSF1 (0.48) | ABCB1MAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7126002-B2 | Pyridine-1-oxide derivative, and process for its transformation into pharmaceutically effective compounds | CYTRX CORPORATION (US) | 2006-10-24 | — | — | US | disclosed |
| EP-1274685-B1 | A PYRIDINE-N-OXIDE DERIVATIVE, AND PROCESS FOR ITS TRANSFORMATION INTO PHARMACEUTICALLY EFFECTIVE COMPOUNDS | BIOREX KUTATO FEJLESZTOE KFT (HU) | 2006-07-12 | — | — | EP | disclosed |
| US-20040006232-A1 | Pyridine-1-oxide derivative, and process for its transformation into pharmaceutically effective compounds | KEMPHARM, INC. | 2004-01-08 | — | — | US | disclosed |
| EP-1274685-A1 | A PYRIDINE-1-OXIDE DERIVATIVE, AND PROCESS FOR ITS TRANSFORMATION INTO PHARMACEUTICALLY EFFECTIVE COMPOUNDS | BIOREX KUTATO ES FEJLESZTÖ RT. (HU) | 2003-01-15 | — | — | EP | disclosed |
| WO-2001079174-A1 | A PYRIDINE-1-OXIDE DERIVATIVE, AND PROCESS FOR ITS TRANSFORMATION INTO PHARMACEUTICALLY EFFECTIVE COMPOUNDS | BIOREX Kutató és Fejlesztő Rt. (HU) | 2001-10-25 | — | — | WO | disclosed |