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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 11/20 | 0.59 |
| ▸ | SLC6A4 known ✓ | P31645 | 11/20 | 0.59 |
| ▸ | SLC6A3 known ✓ | Q01959 | 10/20 | 0.59 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.59 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.59 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.59 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.59 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.59 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.59 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.59 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.59 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.59 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.59 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.59 |
| ▸ | CACNA1D known ✓ | Q01668 | 1/20 | 0.59 |
| ▸ | CACNA1S known ✓ | Q13698 | 1/20 | 0.59 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.59 |
| ▸ | CACNA2D1 | P54289 | 7/20 | 0.64 |
| ▸ | MLNR | O43193 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
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 SCHEMBL4621200 | 1.00 | CACNA2D1 (0.64) | CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A | |
| Fumaric Acid SCHEMBL5318539 | 1.00 | CACNA2D1 (0.64) | CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A | |
| Fumaric Acid SCHEMBL3760530 | 1.00 | CACNA2D1 (0.64) | CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A | |
| Maleic Acid SCHEMBL4620894 | 1.00 | CACNA2D1 (0.64) | CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A | |
| Fumaric Acid SCHEMBL3760528 | 1.00 | CACNA2D1 (0.64) | CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A | |
| Fumaric Acid SCHEMBL4897340 | 1.00 | CACNA2D1 (0.64) | CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A | |
| Oxalic Acid SCHEMBL1535363 | 0.93 | CACNA2D1 (0.67) | CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A | |
| Oxalic Acid SCHEMBL2740 | 0.93 | CACNA2D1 (0.67) | CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A | |
| Oxalic Acid SCHEMBL3312526 | 0.93 | CACNA2D1 (0.67) | CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A | |
| Succinic Acid SCHEMBL5530810 | 0.91 | CACNA2D1 (0.65) | CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7842717-B2 | DNT-maleate and methods of preparation thereof | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-11-30 | — | — | US | claimed |
| US-20080207923-A1 | Pure DNT-maleate and methods of preparation thereof | TEVA PHARMACEUTICALS USA, INC. | 2008-08-28 | — | — | US | claimed |
| EP-1899317-A2 | ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE | Teva Pharmaceutical Industries Ltd (IL) | 2008-03-19 | — | — | EP | claimed |
| US-20080015362-A1 | Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine | TEVA PHARMACEUTICALS USA, INC. | 2008-01-17 | — | — | US | claimed |
| WO-2007123900-A2 | ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2007-11-01 | — | — | WO | claimed |
| US-7842717-B2 | DNT-maleate and methods of preparation thereof | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2010-11-30 | — | — | US | disclosed |
| US-20080207923-A1 | Pure DNT-maleate and methods of preparation thereof | TEVA PHARMACEUTICALS USA, INC. | 2008-08-28 | — | — | US | disclosed |
| US-20080207923-A1 | Pure DNT-maleate and methods of preparation thereof | TEVA PHARMACEUTICALS USA, INC. | 2008-08-28 | — | — | US | disclosed |
| US-20070185192-A1 | DNT-maleate and methods of preparation thereof | ASSIA CHEMICAL INDUSTRIES LTD. (IL) | 2007-08-09 | — | — | 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 (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-20080015362-A1 | Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine | HTR3A, PNMT, TPH1 | SLC6A2 58/4885SLC6A4 46/4885SLC6A3 39/4885 |
| US-20080207923-A1 | Pure DNT-maleate and methods of preparation thereof | DNTT, NCDN, AANAT | SLC6A2 24/4885SLC6A4 6/4885SLC6A3 5/4885 |
| US-20070185192-A1 | DNT-maleate and methods of preparation thereof | DNTT, AANAT, NCDN | SLC6A2 29/4885SLC6A4 9/4885SLC6A3 8/4885 |
“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.