Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 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 | |
|---|---|---|---|---|
| SCHEMBL3234227 | 0.90 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CA12CA1CA2 | |
| SCHEMBL3236889 | 0.85 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1HTR6CYP3A4CYP2D6 | |
| SCHEMBL3239742 | 0.83 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1CA12CA1CA2 | |
| SCHEMBL3479662 | 0.83 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1HTR6CA12CA1 | |
| SCHEMBL3479627 | 0.82 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1HTR6CYP3A4CYP2D6 | |
| SCHEMBL3480090 | 0.82 | DRD1 (0.45) | ALDH1A1L3MBTL1SRD5A1DRD2HTR2A | |
| SCHEMBL3479780 | 0.82 | SCN9A (0.43) | ALDH1A1L3MBTL1HTR6CYP3A4CYP2D6 | |
| SCHEMBL3224500 | 0.81 | SLC6A2 (0.48) | ALDH1A1L3MBTL1P2RX7HRH4HTR3E | |
| SCHEMBL3221318 | 0.81 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1MC4RDRD2 | |
| SCHEMBL3479697 | 0.80 | SCN9A (0.37) | ALDH1A1L3MBTL1HTR6CYP3A4CYP2D6 |
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 2 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 |
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 | ALDH1A1 372/4885L3MBTL1 2286/4885HTR6 73/4885 |
“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.