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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 15/20 | 0.52 |
| ▸ | SLC6A4 known ✓ | P31645 | 14/20 | 0.52 |
| ▸ | SLC6A2 known ✓ | P23975 | 14/20 | 0.52 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.37 |
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 SCHEMBL1246021 | 1.00 | SLC6A3 (0.52) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL1247462 | 0.93 | SLC6A3 (0.59) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 | |
| Maleic Acid SCHEMBL1247949 | 0.87 | SLC6A4 (0.49) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL1247951 | 0.87 | SLC6A4 (0.49) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 | |
| Maleic Acid SCHEMBL1247616 | 0.86 | SLC6A3 (0.72) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL1247619 | 0.86 | SLC6A3 (0.72) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 | |
| Fumaric Acid SCHEMBL1249077 | 0.85 | SLC6A4 (0.55) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 | |
| Maleic Acid SCHEMBL1249075 | 0.85 | SLC6A4 (0.55) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL4306463 | 0.84 | SLC6A3 (0.71) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL1248358 | 0.79 | SLC6A4 (0.55) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1904069-B1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RES INC (US) | 2018-06-13 | — | — | EP | disclosed |
| US-9403776-B2 | Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. (US) | 2016-08-02 | — | — | US | disclosed |
| US-20140296514-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT | 2014-10-02 | — | — | US | disclosed |
| US-8791101-B2 | Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. (US) | 2014-07-29 | — | — | US | disclosed |
| US-7956050-B2 | Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-06-07 | — | — | US | disclosed |
| US-20110046114-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-02-24 | — | — | US | disclosed |
| US-20090118260-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR TECHNOLOGY, INC. (US) | 2009-05-07 | — | — | US | disclosed |
| US-20080207595-A9 | Psychological disorders; analgesics; hyperactivity; eating disorders | AMR TECHNOLOGY, INC. (US) | 2008-08-28 | — | — | US | disclosed |
| US-20070021408-A1 | Psychological disorders; analgesics; eating disorders; drug abuse | AMR TECHNOLOGY, INC. (US) | 2007-01-25 | — | — | 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 (5 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-20080207595-A9 | Psychological disorders; analgesics; hyperactivity; eating disorders | OPRL1, HTR1B, HTR3C | SLC6A3 46/4885SLC6A4 72/4885SLC6A2 80/4885 |
| US-20070021408-A1 | Psychological disorders; analgesics; eating disorders; drug abuse | OPRD1, OPRK1, OPRL1 | SLC6A3 98/4885SLC6A4 136/4885SLC6A2 185/4885 |
| US-20140296514-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ADRA2B, ADRA2C, HTR2B | SLC6A3 17/4885SLC6A4 27/4885SLC6A2 10/4885 |
| US-20110046114-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ADRA2B, ADRA2C, HTR2B | SLC6A3 17/4885SLC6A4 27/4885SLC6A2 10/4885 |
| US-20090118260-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ADRA2B, ADRA2C, HTR2B | SLC6A3 17/4885SLC6A4 27/4885SLC6A2 10/4885 |
“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.