Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 2/20 | 0.37 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 3/20 | 0.36 |
| ▸ | HTR1D | P28221 | 3/20 | 0.36 |
| ▸ | HTR1B | P28222 | 3/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.36 |
| ▸ | NCF1 | P14598 | 2/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3225005 | 0.85 | P2RX7 (0.45) | HTR3AHTR1AHTR1DHTR1BMC4R | |
| SCHEMBL3479531 | 0.81 | SCN9A (0.48) | HTR3AHTR1AHTR1DHRH4MC4R | |
| SCHEMBL3234199 | 0.81 | HPGD (0.44) | HTR1AHTR1DHTR1BHRH4HTR6 | |
| SCHEMBL3222825 | 0.80 | SCN9A (0.40) | ASIC3HSD17B3HRH4HTR6SIGMAR1 | |
| SCHEMBL3227778 | 0.80 | HTR3A (0.51) | HTR3AHTR1AHTR6HTR3EHTR3B | |
| SCHEMBL3479570 | 0.79 | HTR1A (0.40) | HTR1AHTR1DHTR1BHTR6HTR2A | |
| SCHEMBL3479615 | 0.76 | SLC6A2 (0.50) | HTR3AHRH4HTR2A | |
| SCHEMBL3479535 | 0.74 | ALDH1A1 (0.44) | HTR3AHTR1AHRH4MC4RHTR6 | |
| SCHEMBL3225885 | 0.74 | MAOA (0.39) | HTR3AHTR1AHTR1DHTR1BHRH4 | |
| SCHEMBL3479627 | 0.72 | ALDH1A1 (0.39) | HSD17B3HRH4HTR6CYP2D6 |
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 | HTR3A 30/4885ASIC3 3721/4885HSD17B3 623/4885 |
“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.