Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.47 |
| ▸ | HTR3A | P46098 | 4/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.47 |
| ▸ | HTR3B | O95264 | 3/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 3/20 | 0.47 |
| ▸ | HTR7 | P34969 | 3/20 | 0.47 |
| ▸ | HTR6 | P50406 | 7/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | HTR5A | P47898 | 1/20 | 0.44 |
| ▸ | KHK | P50053 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3479777 | 0.91 | ADRA2C (0.51) | HTR3ASIGMAR1HTR2CHTR1AHTR7 | |
| SCHEMBL3479556 | 0.89 | ADRB1 (0.51) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL3479410 | 0.89 | HTR1A (0.45) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL3479645 | 0.85 | HTR3A (0.41) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL3479564 | 0.85 | ADRB1 (0.40) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL3226578 | 0.85 | LMNA (0.47) | HTR3ASIGMAR1HTR6DRD3ADRA2C | |
| SCHEMBL3479712 | 0.84 | ADRB1 (0.59) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL3479783 | 0.84 | ADRB1 (0.40) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL3479608 | 0.81 | ALDH1A1 (0.42) | ADRB1HTR3AHTR1AHTR7HTR6 | |
| SCHEMBL3217484 | 0.81 | RORC (0.51) | SIGMAR1HTR2CHTR1AHTR6DRD3 |
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-9096546-B2 | Aryl- and heteroaryl-substituted tetrahydrobenzo-1,4-diazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. (US) | 2015-08-04 | — | — | US | disclosed |
| US-20100137287-A1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RESEARCH, INC. (US) | 2010-06-03 | — | — | US | disclosed |
| EP-2146722-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR Technology, Inc. (US) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008141081-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR TECHNOLOGY, INC. (US) | 2008-11-20 | — | — | 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 (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-20100137287-A1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ADRA1B, ADRB1, ADRA1D | ADRB1 2/4885HTR3A 30/4885HTR3E 42/4885 |
“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.