Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 2/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | PDE1A | P54750 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10686435 | 0.88 | ABCB1 (0.52) | ABCB1ABCG2BCHEHTR6HTR5A | |
| SCHEMBL10686601 | 0.88 | SLC6A4 (0.47) | ABCB1ABCG2BCHEHTR6HTR5A | |
| SCHEMBL10683964 | 0.76 | HTR5A (0.46) | HTR5AKDM4EHDAC6ALDH1A1SLC6A4 | |
| SCHEMBL10688814 | 0.75 | SLC6A4 (0.42) | ABCB1ABCG2HTR6HTR5AKDM4E | |
| SCHEMBL10684924 | 0.74 | HTR5A (0.42) | HTR5AKDM4EALDH1A1SLC6A4 | |
| SCHEMBL10681796 | 0.74 | HTR5A (0.42) | ABCB1ABCG2HTR6HTR5AKDM4E | |
| SCHEMBL10689191 | 0.73 | SLC6A4 (0.46) | ABCB1ABCG2HTR5AKDM4EALDH1A1 | |
| SCHEMBL10686306 | 0.72 | ADRA1D (0.53) | ABCB1ABCG2SLC6A4POLBMEN1 | |
| SCHEMBL8804790 | 0.72 | BCHE (0.56) | BCHEHTR6HTR5AGRIN2DGRIN3B | |
| SCHEMBL3856894 | 0.68 | PDE1A (0.52) | ABCB1ABCG2KDM4EPDE1AALDH1A1 |
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-4719208-A | 1,2,3,4,5,6-hexahydroazepino(4,5-B)indole derivatives, their preparation, intermediate compounds, and their application in therapeutics | OMNICHEM SOCIETE ANONYME (BE) | 1988-01-12 | — | — | US | disclosed |