Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric 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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 SCHEMBL16197824 | 1.00 | KEAP1 (0.46) | KEAP1NFE2L2KDM4EALDH1A1MAPT | |
| SCHEMBL16197697 | 0.90 | HTR2A (0.51) | KDM4EALDH1A1MAPTCNR2SMN1; SMN2 | |
| Fumaric Acid SCHEMBL16197822 | 0.83 | HTR2A (0.41) | KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL4539709 | 0.74 | ALDH1A1 (0.57) | KDM4EALDH1A1MAPTCNR2SMN1; SMN2 | |
| SCHEMBL16197432 | 0.72 | HTR1A (0.58) | LMNAHTR2AHTR2CPOLB | |
| SCHEMBL4049250 | 0.72 | HTR2A (0.59) | KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL16197695 | 0.72 | HTR2A (0.48) | KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL7217397 | 0.72 | L3MBTL1 (0.57) | KDM4EALDH1A1MAPTCNR2CYP1A2 | |
| SCHEMBL4049833 | 0.71 | HTR2A (0.58) | KDM4EALDH1A1MAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL669395 | 0.69 | CREBBP (0.53) | ALDH1A1CNR2SMN1; SMN2CYP1A2LMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160060268-A1 | PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2016-03-03 | — | — | US | claimed |
| EP-2989105-A1 | PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2016-03-02 | — | — | EP | claimed |
| WO-2014173903-A1 | PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2014-10-30 | — | — | WO | claimed |
| EP-2989105-B1 | PYRAZINO[1,2-A]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | ESTEVE PHARMACEUTICALS SA (ES) | 2020-03-11 | — | — | EP | disclosed |
| US-9879015-B2 | Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2018-01-30 | — | — | US | disclosed |
| US-20160060268-A1 | PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2016-03-03 | — | — | US | disclosed |
| EP-2989105-A1 | PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2016-03-02 | — | — | EP | disclosed |
| WO-2014173903-A1 | PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2014-10-30 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160060268-A1 | PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | IDO1, TPH1, IDO2 | HTR2A 25/4885HTR2C 24/4885KEAP1 1391/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.