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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.78 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23481849 | 0.82 | SIGMAR1 (0.87) | SIGMAR1TAAR1CYP2D6CYP1A2TSHR | |
| Methamphetamine SCHEMBL28616144 | 0.77 | TAAR1 (0.72) | SIGMAR1TAAR1NPC1RAB9AMEN1 | |
| Methamphetamine SCHEMBL25290134 | 0.77 | TAAR1 (0.72) | SIGMAR1TAAR1NPC1RAB9AMEN1 | |
| Methamphetamine SCHEMBL25290133 | 0.77 | TAAR1 (0.72) | SIGMAR1TAAR1NPC1RAB9AMEN1 | |
| Methamphetamine SCHEMBL28616142 | 0.77 | TAAR1 (0.72) | SIGMAR1TAAR1NPC1RAB9AMEN1 | |
| Methamphetamine SCHEMBL8865452 | 0.76 | TAAR1 (0.70) | SIGMAR1TAAR1NPC1RAB9AMEN1 | |
| Prenylamine SCHEMBL10616084 | 0.75 | HTR1A (0.78) | SIGMAR1TAAR1MEN1KMT2ACYP2D6 | |
| SCHEMBL4020783 | 0.75 | TAAR1 (1.00) | SIGMAR1TAAR1NPC1RAB9AMEN1 | |
| Fumaric Acid SCHEMBL29493536 | 0.74 | SIGMAR1 (0.62) | SIGMAR1TAAR1NPC1RAB9AMEN1 | |
| Fumaric Acid SCHEMBL29776292 | 0.72 | TAAR1 (0.56) | SIGMAR1TAAR1NPC1RAB9AKMT2A |
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-0443132-B1 | Peptides having tachykinin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same | FUJISAWA PHARMACEUTICAL CO (JP) | 1993-12-15 | — | — | EP | claimed |
| US-6057371-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-05-02 | — | — | US | disclosed |
| EP-0591426-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1994-04-13 | — | — | EP | disclosed |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | disclosed |