Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.52 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.52 |
| ▸ | HTR7 | P34969 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL668424 | 0.88 | ALDH1A1 (0.48) | ABCB1ABCC1HTR7KDM4EMEN1 | |
| SCHEMBL668624 | 0.88 | ABCB1 (0.52) | ABCB1ABCC1HTR7KDM4EMEN1 | |
| SCHEMBL667854 | 0.85 | MEN1 (0.50) | ABCB1ABCC1HTR7KDM4EMEN1 | |
| SCHEMBL668404 | 0.85 | MEN1 (0.47) | ABCB1ABCC1HTR7KDM4EMEN1 | |
| SCHEMBL669902 | 0.83 | MEN1 (0.58) | ABCB1ABCC1HTR7KDM4EMEN1 | |
| SCHEMBL668374 | 0.80 | PDE4B (0.61) | HTR7KDM4EMEN1KMT2ABCHE | |
| SCHEMBL8323366 | 0.78 | RAB9A (0.56) | MEN1KMT2ABCHEACHEALDH1A1 | |
| SCHEMBL520969 | 0.78 | KDM4E (0.55) | HTR7KDM4EMEN1KMT2AACHE | |
| SCHEMBL29940195 | 0.77 | SSTR5 (0.66) | SSTR5 | |
| SCHEMBL3573364 | 0.77 | PYGL (0.45) | ABCB1ABCC1SMN1; SMN2 |
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 |