Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | DDO | Q99489 | 2/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9389943 | 0.91 | DAO (0.42) | DAOKDM4EPKMHCAR2ALDH1A1 | |
| SCHEMBL9393136 | 0.84 | DAO (0.43) | DAOKDM4EPKMALDH1A1HTT | |
| SCHEMBL9389978 | 0.81 | DAO (0.41) | DAOKDM4EPKMALDH1A1HTT | |
| SCHEMBL9392688 | 0.81 | DAO (0.41) | DAOKDM4EPKMALDH1A1DDO | |
| SCHEMBL9389400 | 0.80 | DAO (0.49) | DAOKDM4EPKMHCAR2ALDH1A1 | |
| SCHEMBL9392228 | 0.80 | DAO (0.43) | DAOKDM4EPKMALDH1A1DDO | |
| SCHEMBL9390076 | 0.77 | DAO (0.43) | DAOKDM4EPKMALDH1A1HTT | |
| SCHEMBL9389927 | 0.77 | DAO (0.49) | DAOKDM4EPKMDDOPGR | |
| SCHEMBL9389013 | 0.75 | DAO (0.58) | DAODDOGRIN1GRIN2A | |
| SCHEMBL9388974 | 0.74 | DAO (0.49) | DAOKDM4EPKMALDH1A1DDO |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994007500-A1 | 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS | WEBER ECKARD (US) | 1994-04-14 | — | — | WO | disclosed |