Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL667854 | 0.90 | MEN1 (0.50) | ALDH1A1ABCB1ABCC1KDM4EPOLB | |
| SCHEMBL668404 | 0.90 | MEN1 (0.47) | ALDH1A1ABCB1ABCC1KDM4EPOLB | |
| SCHEMBL669387 | 0.88 | GRM2 (0.53) | ALDH1A1ABCB1ABCC1KDM4EHTR7 | |
| SCHEMBL668624 | 0.86 | ABCB1 (0.52) | ALDH1A1ABCB1ABCC1KDM4EPOLB | |
| SCHEMBL669902 | 0.84 | MEN1 (0.58) | ALDH1A1ABCB1ABCC1KDM4EPOLB | |
| SCHEMBL668374 | 0.83 | PDE4B (0.61) | KDM4EHTR7DRD4MEN1KMT2A | |
| SCHEMBL31012206 | 0.81 | ALDH1A1 (0.65) | ALDH1A1KDM4EPOLBDRD4MEN1 | |
| SCHEMBL520969 | 0.76 | KDM4E (0.55) | ALDH1A1KDM4EHTR7MEN1KMT2A | |
| SCHEMBL18024222 | 0.73 | ALOX5AP (0.40) | ALDH1A1KDM4EPOLBHTR7DRD4 | |
| SCHEMBL520626 | 0.71 | KDM4E (0.65) | ALDH1A1KDM4EPOLBMEN1KMT2A |
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 |