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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 SCHEMBL9691196 | 1.00 | CNR1 (0.61) | CNR1ALDH1A1TP53CYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL9691460 | 0.88 | CNR1 (0.59) | CNR1ALDH1A1TP53CYP1A2CYP3A4 | |
| Maleic Acid SCHEMBL9691457 | 0.88 | CNR1 (0.59) | CNR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL9691186 | 0.85 | CNR1 (0.69) | CNR1ALDH1A1TP53CYP1A2CYP3A4 | |
| Pravadoline SCHEMBL121663 | 0.83 | CNR1 (0.89) | CNR1ALDH1A1TP53CYP1A2CYP3A4 | |
| Pravadoline SCHEMBL30457811 | 0.83 | CNR1 (0.89) | CNR1ALDH1A1TP53CYP1A2CYP3A4 | |
| Maleic Acid SCHEMBL8534291 | 0.81 | CNR1 (0.56) | CNR1 | |
| Maleic Acid SCHEMBL9691168 | 0.81 | CNR1 (0.69) | CNR1ALDH1A1TP53CYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL8534296 | 0.81 | CNR1 (0.56) | CNR1 | |
| Fumaric Acid SCHEMBL9691175 | 0.81 | CNR1 (0.69) | CNR1ALDH1A1TP53CYP1A2CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0171037-B1 | 3-CARBONYL-1-AMINOALKYL-1H-INDOLES USEFUL AS ANALGESICS AND PREPARATION THEREOF | STERLING WINTHROP INC. (US) | 1992-06-17 | — | — | EP | disclosed |
| US-5013732-A | Analgesics | STERLING DRUG INC. (US) | 1991-05-07 | — | — | US | disclosed |
| US-RE32761-E | ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT | STERLING DRUG INC. (US) | 1988-10-04 | — | — | US | disclosed |
| US-4634776-A | ANALGESIC, ANTIRHEUMATIC, ANTIINFLAMMATORY | STERLING DRUG, INC. (US) | 1987-01-06 | — | — | US | disclosed |
| US-4581354-A | ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS | STERLING DRUG INC. (US) | 1986-04-08 | — | — | US | disclosed |
| EP-0171037-A2 | 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof | STERLING WINTHROP INC. (US) | 1986-02-12 | — | — | EP | disclosed |