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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.43 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 SCHEMBL3901903 | 1.00 | TP53 (0.43) | TP53ADRA1AMAPTKDRDRD4 | |
| SCHEMBL2966951 | 0.89 | MAPT (0.48) | TP53ADRA1AMAPTKDRDRD4 | |
| Hydrochloric Acid SCHEMBL6220144 | 0.87 | MAPT (0.47) | TP53ADRA1AMAPTKDRDRD4 | |
| SCHEMBL2968890 | 0.84 | MAPT (0.50) | TP53ADRA1AMAPTKDRDRD4 | |
| SCHEMBL4729065 | 0.78 | MAPT (0.58) | TP53MAPTKDRLMNATHRB | |
| Hydrochloric Acid SCHEMBL4727330 | 0.77 | MAPT (0.57) | TP53MAPTKDRLMNATHRB | |
| Fumaric Acid SCHEMBL7835323 | 0.76 | ADRA1A (0.54) | ADRA1AMAPTDRD4HTR2A | |
| SCHEMBL8653538 | 0.72 | MAPT (0.48) | TP53ADRA1AMAPTDRD4HTR2A | |
| SCHEMBL7828988 | 0.72 | ADRB2 (0.52) | TP53MAPTHTR2ALMNATHRB | |
| SCHEMBL2966925 | 0.72 | ADRB2 (0.55) | TP53MAPTLMNATHRB |
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 |
|---|---|---|---|---|---|---|---|
| US-7511046-B2 | Thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists | AVENTIS HOKLINGS INC. (US) | 2009-03-31 | — | — | US | disclosed |
| US-20070004695-A1 | THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-01-04 | — | — | US | disclosed |
| US-7125903-B1 | Thienoisoxazolyl-and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2006-10-24 | — | — | US | disclosed |
| EP-1216250-B1 | THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMA INC (US) | 2003-11-19 | — | — | EP | disclosed |
| EP-1216250-A1 | THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001019833-A1 | THIENOISOXAZOLYL- AND THIENYLPYRRAZOLYL-PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |
| EP-0511610-B1 | Benzisothiazole- and benzisoxazole-3-carboxamides, a process for their preparation and their use as antipsychotic medicaments | HOECHST ROUSSEL PHARMA (US) | 1996-09-11 | — | — | EP | disclosed |
| US-5225412-A | Antipsychotic | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1993-07-06 | — | — | US | disclosed |
| EP-0511610-A1 | Benzisothiazole- and benzisoxazole-3-carboxamides, a process for their preparation and their use as antipsychotic medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-11-04 | — | — | EP | disclosed |
| US-5143923-A | Psychological disorders | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1992-09-01 | — | — | US | 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-20070004695-A1 | THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | DRD4, DRD2, SLC6A3 | ADRA1A 244/4885HTR2A 25/4885TP53 4095/4885 |
“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.