Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.43 |
| ▸ | AR | P10275 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6826968 | 0.84 | HTR2A (0.50) | HTR2ASIGMAR1HTR1AGRIN1GRIN2B | |
| SCHEMBL14151721 | 0.81 | HTR2A (0.47) | HTR2ASIGMAR1HTR1AGRIN1GRIN2B | |
| SCHEMBL14151720 | 0.81 | HTR2A (0.47) | HTR2ASIGMAR1HTR1AGRIN1GRIN2B | |
| SCHEMBL13827955 | 0.79 | GRIN1 (0.45) | HTR2ASIGMAR1HTR1AGRIN1GRIN2B | |
| SCHEMBL606089 | 0.78 | HTR2A (0.56) | HTR2ASIGMAR1HTR1AARCYP19A1 | |
| Bromide SCHEMBL13835350 | 0.78 | HTR2A (0.44) | HTR2ASIGMAR1HTR1AGRIN1GRIN2B | |
| SCHEMBL14151107 | 0.78 | HTR2A (0.46) | HTR2ASIGMAR1HTR1AARCYP19A1 | |
| SCHEMBL13736116 | 0.76 | TACR2 (0.46) | HTR2ASIGMAR1HTR1AARMAOA | |
| SCHEMBL3284717 | 0.74 | HTR2A (0.50) | HTR2ASIGMAR1GRIN1GRIN2BAR | |
| SCHEMBL10348907 | 0.74 | SLC22A1 (0.63) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9309200-B2 | Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-04-12 | — | — | US | disclosed |