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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 14/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 11/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 11/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL8552735 | 0.87 | HDAC1 (0.37) | HDAC1HDAC3HDAC2HDAC11KCNH2 | |
| Maleic Acid SCHEMBL8551151 | 0.86 | HDAC1 (0.36) | HDAC1HDAC3HDAC2HDAC11KCNH2 | |
| Maleic Acid SCHEMBL8190943 | 0.77 | HTR1F (0.59) | HDAC1HDAC3HDAC2HDAC11RAD52 | |
| Maleic Acid SCHEMBL7143351 | 0.75 | HDAC1 (0.40) | HDAC1HDAC3HDAC2HDAC11RAD52 | |
| SCHEMBL10553969 | 0.65 | RAD52 (0.55) | RAD52BLMNPSR1KDM4EALDH1A1 | |
| SCHEMBL23054898 | 0.64 | HDAC1 (0.65) | HDAC1HDAC3HDAC2HDAC11KCNH2 | |
| Maleic Acid SCHEMBL8551457 | 0.64 | HTR1F (0.41) | — | |
| Acetone SCHEMBL27748254 | 0.60 | MAPT (0.56) | HDAC1HDAC3HDAC2HDAC11NPSR1 | |
| SCHEMBL6112331 | 0.60 | POLB (0.51) | KDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL1320838 | 0.59 | NPSR1 (1.00) | HDAC1HDAC3HDAC2RAD52BLM |
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-0768301-B1 | N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists | LILLY CO ELI (US) | 2003-04-02 | — | — | EP | disclosed |
| US-6126932-A | INSOLUBLE POLYMER BEARING PENDANT SIDE CHAINS, SAID SIDE CHAINS EACH TERMINATING WITH THE 1-(3-(1-PYRROLIDINYL)-PROPYL)-3-ETHYLCARBODIIMIDE MOIETY. | ELI LILLY AND COMPANY (US) | 2000-10-03 | — | — | US | disclosed |
| EP-0994109-A2 | 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide and a solid phase coupling agent | ELI LILLY AND COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| US-5998630-A | A 1-(3-(1-PYRROLIDINYL)PROPY)-3-ETHYLCARBODIIMIDE | ELI LILLY AND COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| WO-1997013512-A1 | N-[2-SUBSTITUTED-3-(2-AMINOETHYL)-1H-INDOL-5-YL]-AMIDES: NEW 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 1997-04-17 | — | — | WO | disclosed |
| EP-0768301-A1 | N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists | ELI LILLY AND COMPANY (US) | 1997-04-16 | — | — | EP | disclosed |