Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.46 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.45 |
| ▸ | BCAT1 | P54687 | 4/20 | 0.55 |
| ▸ | GUSB | P08236 | 8/20 | 0.53 |
| ▸ | NHERF1 | O14745 | 3/20 | 0.50 |
| ▸ | PYGL | P06737 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.45 |
| ▸ | F3 | P13726 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6401155 | 0.95 | GUSB (0.57) | BCAT1GUSBNHERF1MEN1NPC1 | |
| Hydrochloric Acid SCHEMBL6401280 | 0.94 | GUSB (0.56) | BCAT1GUSBNHERF1MEN1NPC1 | |
| SCHEMBL6401775 | 0.90 | BCAT1 (0.58) | BCAT1GUSBNHERF1PYGLMEN1 | |
| SCHEMBL6399609 | 0.85 | GUSB (0.59) | BCAT1GUSBNHERF1MEN1NPC1 | |
| Hydrochloric Acid SCHEMBL6400671 | 0.84 | GUSB (0.58) | BCAT1GUSBNHERF1MEN1NPC1 | |
| SCHEMBL6404156 | 0.84 | BCAT1 (0.51) | BCAT1GUSBNHERF1PYGL | |
| SCHEMBL6399708 | 0.80 | GUSB (0.54) | BCAT1GUSBNHERF1MEN1KMT2A | |
| SCHEMBL6399996 | 0.80 | GUSB (0.54) | BCAT1GUSBNHERF1PYGLMEN1 | |
| SCHEMBL6401674 | 0.79 | GUSB (0.56) | BCAT1GUSBNHERF1F7F3 | |
| SCHEMBL6401160 | 0.79 | GUSB (0.54) | BCAT1GUSBNHERF1PYGLMEN1 |
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-20050054696-A1 | Indole compounds and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | US | claimed |
| EP-1452526-A1 | INDOLE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-09-01 | — | — | EP | claimed |
| US-20050054696-A1 | Indole compounds and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | US | disclosed |
| EP-1452526-A1 | INDOLE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-09-01 | — | — | EP | 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-20050054696-A1 | Indole compounds and medicinal use thereof | IDO1, GPR119, SLC5A1 | MEN1 1510/4885KMT2A 673/4885EGFR 3431/4885 |
“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.