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 | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 3/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.40 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.39 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.39 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.39 |
| ▸ | HSPA2 | P54652 | 1/20 | 0.39 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 SCHEMBL8761044 | 1.00 | CTSC (0.49) | CTSCTAAR1HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL8761037 | 0.94 | CTSC (0.55) | CTSCHPGDSMN1; SMN2ALDH1A1MMP2 | |
| SCHEMBL8760971 | 0.81 | ALDH1A1 (0.65) | CTSCHPGDSMN1; SMN2ALDH1A1HTT | |
| Fumaric Acid SCHEMBL8866914 | 0.78 | ALDH1A1 (0.53) | CTSCTAAR1SMN1; SMN2ALDH1A1MMP2 | |
| Maleic Acid SCHEMBL8866899 | 0.78 | ALDH1A1 (0.53) | CTSCTAAR1SMN1; SMN2ALDH1A1MMP2 | |
| SCHEMBL8761039 | 0.75 | CTSC (0.43) | CTSCHPGDCTSLTSHRGPR52 | |
| SCHEMBL16889096 | 0.74 | ALDH1A1 (0.71) | CTSCSMN1; SMN2ALDH1A1MMP2HTT | |
| SCHEMBL6813188 | 0.74 | ALDH1A1 (0.71) | CTSCSMN1; SMN2ALDH1A1MMP2HTT | |
| SCHEMBL3282858 | 0.74 | CCR3 (0.50) | HPGDSMN1; SMN2ALDH1A1HTTNCOA1 | |
| Hydrochloric Acid SCHEMBL6813768 | 0.73 | ALDH1A1 (0.69) | CTSCSMN1; SMN2ALDH1A1MMP2HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0557305-B1 | (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES | ASTRA AB (SE) | 1997-06-11 | — | — | EP | disclosed |
| EP-0557305-A1 | (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES. | FISONS CORP (US) | 1993-09-01 | — | — | EP | disclosed |
| US-5109017-A | (2-thienyl)alkylamine derivatives having neuroprotective properties | FISONS CORPORATION (US) | 1992-04-28 | — | — | US | disclosed |
| WO-1992005169-A1 | (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES | FISONS CORPORATION (US) | 1992-04-02 | — | — | WO | disclosed |