Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 6/20 | 0.37 |
| ▸ | LPL | P06858 | 4/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 4/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12475181 | 0.91 | PNMT (0.46) | PNMTADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL17948747 | 0.85 | ASIC3 (0.46) | PNMTLPLLIPGADRA2AADRA2B | |
| SCHEMBL31371681 | 0.85 | ASIC3 (0.46) | PNMTLPLLIPGADRA2AADRA2B | |
| SCHEMBL2595567 | 0.85 | LPL (0.43) | BACE1LPLLIPG | |
| SCHEMBL31030871 | 0.85 | LPL (0.43) | BACE1LPLLIPG | |
| Hydrochloric Acid SCHEMBL31081659 | 0.84 | ASIC3 (0.45) | PNMTLPLLIPGADRA2AADRA2B | |
| SCHEMBL5781980 | 0.83 | LPL (0.46) | BACE1LPLLIPG | |
| SCHEMBL4158988 | 0.83 | LPL (0.44) | BACE1LPLLIPG | |
| SCHEMBL30284869 | 0.83 | LPL (0.44) | BACE1LPLLIPG | |
| SCHEMBL29502333 | 0.80 | LPL (0.47) | BACE1LPLLIPG |
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 |
|---|---|---|---|---|---|---|---|
| EP-2606049-A2 | 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | Albany Molecular Research, Inc. (US) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012024397-A2 | 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-02-23 | — | — | WO | disclosed |