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 | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.34 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.37 |
| ▸ | MAPT | P10636 | 6/20 | 0.37 |
| ▸ | HPGD | P15428 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
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 SCHEMBL7866441 | 1.00 | ALDH1A1 (0.37) | ALDH1A1MAPTHPGDSMN1; SMN2USP2 | |
| Maleic Acid SCHEMBL7867319 | 0.92 | ALDH1A1 (0.39) | ALDH1A1MAPTHRH3MEN1KMT2A | |
| Fumaric Acid SCHEMBL7867323 | 0.92 | ALDH1A1 (0.39) | ALDH1A1MAPTHRH3MEN1KMT2A | |
| Maleic Acid SCHEMBL8820356 | 0.84 | HTR7 (0.42) | ALDH1A1MAPTHRH3GLANPSR1 | |
| Maleic Acid SCHEMBL7867904 | 0.80 | CCR2 (0.50) | ALDH1A1MAPTCYP2C19CCR2KDM4E | |
| Fumaric Acid SCHEMBL7867909 | 0.80 | CCR2 (0.50) | ALDH1A1MAPTCYP2C19CCR2KDM4E | |
| Fumaric Acid SCHEMBL7867913 | 0.80 | CCR2 (0.50) | ALDH1A1MAPTCYP2C19CCR2KDM4E | |
| Fumaric Acid SCHEMBL7865059 | 0.80 | ALDH1A1 (0.40) | ALDH1A1MAPTHPGDSMN1; SMN2USP2 | |
| Maleic Acid SCHEMBL7865055 | 0.80 | ALDH1A1 (0.40) | ALDH1A1MAPTHPGDSMN1; SMN2USP2 | |
| Maleic Acid SCHEMBL7865031 | 0.78 | KDM4E (0.39) | ALDH1A1MAPTHRH3KMT2ACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1077213-A2 | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6046215-A | A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS | ELI LILLY AND COMPANY (US) | 2000-04-04 | — | — | US | disclosed |
| US-5846982-A | Inhibition of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1998-12-08 | — | — | US | disclosed |
| WO-1997047302-A1 | INHIBITION OF SEROTONIN REUPTAKE | ELI LILLY AND COMPANY (US) | 1997-12-18 | — | — | WO | disclosed |
| EP-0812826-A1 | 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake | ELI LILLY AND COMPANY (US) | 1997-12-17 | — | — | EP | disclosed |