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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 6/20 | 0.56 |
| ▸ | SLC6A2 known ✓ | P23975 | 4/20 | 0.56 |
| ▸ | SLC6A3 known ✓ | Q01959 | 4/20 | 0.56 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.42 |
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 SCHEMBL11244667 | 1.00 | SLC6A4 (0.56) | SLC6A4SLC6A2SLC6A3DRD2SIGMAR1 | |
| SCHEMBL11246658 | 0.89 | SLC6A4 (0.68) | SLC6A4SLC6A2SLC6A3CYP2D6OPRM1 | |
| SCHEMBL11246645 | 0.89 | SLC6A4 (0.68) | SLC6A4SLC6A2SLC6A3CYP2D6OPRM1 | |
| Bromide SCHEMBL11252035 | 0.88 | SLC6A4 (0.66) | SLC6A4SLC6A2SLC6A3CYP2D6OPRM1 | |
| Bromide SCHEMBL11266393 | 0.88 | SLC6A4 (0.66) | SLC6A4SLC6A2SLC6A3CYP2D6OPRM1 | |
| SCHEMBL11185241 | 0.85 | SLC6A4 (0.75) | SLC6A4SLC6A2SLC6A3CYP2D6OPRM1 | |
| SCHEMBL11185245 | 0.85 | SLC6A4 (0.75) | SLC6A4SLC6A2SLC6A3CYP2D6OPRM1 | |
| SCHEMBL11185531 | 0.85 | SLC6A4 (0.75) | SLC6A4SLC6A2SLC6A3CYP2D6OPRM1 | |
| SCHEMBL11535102 | 0.85 | SLC6A4 (0.75) | SLC6A4SLC6A2SLC6A3CYP2D6OPRM1 | |
| SCHEMBL11551737 | 0.83 | SLC6A4 (0.68) | SLC6A4SLC6A2SLC6A3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4337341-A | 4a-Aryl-octahydro-1H-2-pyrindines | ELI LILLY AND COMPANY (US) | 1982-06-29 | — | — | US | disclosed |
| US-4277608-A | Method of preparing 4a-arylhexahydro-1H-2-pyrindines and 4a-aryloctahydroisoquinolines | ELI LILLY AND COMPANY (US) | 1981-07-07 | — | — | US | disclosed |
| US-4236009-A | Method of preparing 4A-arylhexahydro-1H-2-pyrindines and 4A-aryloctahydroisoquinolines | ELI LILLY AND COMPANY (US) | 1980-11-25 | — | — | US | disclosed |
| EP-0002937-A1 | Novel pyrindines and their preparation, formulations and use | ELI LILLY AND COMPANY (US) | 1979-07-11 | — | — | EP | disclosed |