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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP7 | P09237 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
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 SCHEMBL7597836 | 1.00 | USP30 (0.47) | USP30MMP2MMP7MMP9MMP13 | |
| SCHEMBL373485 | 0.94 | USP30 (0.51) | USP30MMP2MMP7MMP9MMP13 | |
| SCHEMBL6883813 | 0.94 | USP30 (0.51) | USP30MMP2MMP7MMP9MMP13 | |
| SCHEMBL7687686 | 0.85 | NPC1 (0.46) | USP30MMP2MMP7MMP9MMP13 | |
| SCHEMBL6882895 | 0.85 | CHRNB2 (0.55) | CHRNB2CHRNA7CHRNA4ALDH1A1NPC1 | |
| SCHEMBL6883392 | 0.85 | CHRNB2 (0.48) | USP30MMP2MMP7MMP9MMP13 | |
| SCHEMBL6881959 | 0.85 | HPGD (0.46) | USP30MMP2MMP7MMP9MMP13 | |
| SCHEMBL6882876 | 0.84 | NPC1 (0.60) | USP30ALDH1A1NPC1MCHR1SMN1; SMN2 | |
| SCHEMBL6881274 | 0.84 | CHRNB2 (0.49) | CHRNB2CHRNA7CHRNA4NPC1MEN1 | |
| SCHEMBL6883507 | 0.84 | CHRNB2 (0.45) | USP30MMP2MMP13CHRNB2CHRNA7 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1381603-A2 | QUINUCLIDINE-SUBSTITUEDARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) | PHARMACIA & UPJOHN COMPANY (US) | 2004-01-21 | — | — | EP | disclosed |
| US-6492386-B2 | TREATING A DISEASE OR CONDITION IN A MAMMAL, WHEREIN THE ALPHA 7 NICOTINIC-ACETYLCHOLINE RECEPTOR IS IMPLICATED | PHARMACIA & UPJOHN COMPANY | 2002-12-10 | — | — | US | disclosed |
| US-6486172-B2 | ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF BENZAMIDE OR BENZOCARBONYLSULFIDE SUBSTITUTED 1-AZABICYCLO(2,2,2)OCT-3-YL COMPOUNDS TO TREAT THE CONDITIONS ASSOCIATED WITH DEFECTS OF NICOTINIC SUBTYPES BRAIN RECEPTORS | PHARMACIA & UPJOHN COMPANY | 2002-11-26 | — | — | US | disclosed |
| US-6479510-B2 | N-((2S,3R)-2-METHYL-1-AZABICYCLO(2.2.2)OCT-3-YL)-4-(4-HYDROXYP HENOXY)- BENZAMIDE FOR EXAMPLE; TREATING DISEASES OF THE ALPHA-7-NICOTINIC ACETYLCHOLINE RECEPTOR I.E. SCHIZOPHRENIA, OR PSYCHOSIS | PHARMACIA & UPJOHN COMPANY | 2002-11-12 | — | — | US | disclosed |
| US-20020052389-A1 | Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated | PHARMACIA & UPJOHN COMPANY | 2002-05-02 | — | — | US | disclosed |
| US-20020049225-A1 | Quinuclidine-substituted aryl compounds for treatment of disease | PHARMACIA & UPJOHN COMPANY | 2002-04-25 | — | — | US | disclosed |
| US-20020040035-A1 | Quinuclidine-substituted aryl compounds for treatment of disease | PHARMACIA & UPJOHN COMPANY | 2002-04-04 | — | — | US | disclosed |
| WO-2002016356-A2 | QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) | PHARMACIA & UPJOHN COMPANY (US) | 2002-02-28 | — | — | WO | disclosed |
| WO-2002016357-A2 | QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) | PHARMACIA & UPJOHN COMPANY (US) | 2002-02-28 | — | — | WO | disclosed |
| WO-2002016358-A2 | QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) | PHARMACIA & UPJOHN COMPANY (US) | 2002-02-28 | — | — | 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 (3 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-20020049225-A1 | Quinuclidine-substituted aryl compounds for treatment of disease | UGT1A1, NAT1, SLC10A1 | MEN1 951/4885KMT2A 3471/4885USP30 3907/4885 |
| US-20020040035-A1 | Quinuclidine-substituted aryl compounds for treatment of disease | UGT1A1, NAT1, SLC10A1 | MEN1 951/4885KMT2A 3471/4885USP30 3907/4885 |
| US-20020052389-A1 | Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated | CHRNA7, CHRNA1, CHRNB1 | MEN1 692/4885KMT2A 4585/4885USP30 3063/4885 |
“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.