Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3234016 | 0.92 | SCN9A (0.37) | SCN9AMAPK14TGFBR1PIK3CASCN5A | |
| SCHEMBL3224973 | 0.90 | SCN9A (0.38) | SCN9AMAPK14TGFBR1PIK3CASCN5A | |
| SCHEMBL3231098 | 0.90 | SCN9A (0.39) | SCN9APIK3CASCN5AMAPKAPK2HRH4 | |
| SCHEMBL3230449 | 0.90 | SCN9A (0.40) | SCN9AMAPK14SCN5AMAPKAPK2HRH4 | |
| SCHEMBL3232437 | 0.89 | SCN9A (0.40) | SCN9AMAPK14TGFBR1PIK3CASCN5A | |
| SCHEMBL3235613 | 0.86 | SLC6A2 (0.38) | SCN9APIK3CASCN5AHRH4DNMT1 | |
| SCHEMBL3227365 | 0.85 | SCN9A (0.40) | SCN9AMAPK14SCN5ADNMT1BACE1 | |
| SCHEMBL3229280 | 0.85 | SCN5A (0.36) | SCN9AMAPK14TGFBR1PIK3CASCN5A | |
| SCHEMBL3222383 | 0.80 | SLC6A2 (0.41) | SCN9AMAPK14TGFBR1SCN5AMAPKAPK2 | |
| SCHEMBL3479628 | 0.78 | SCN9A (0.48) | SCN9AMAPK14MAPKAPK2HRH4DRD2 |
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 | SCN9A 795/4885MAPK14 4357/4885TGFBR1 438/4885 |
“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.