Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 4/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8353835 | 0.76 | TLR8 (0.38) | ALDH1A1HTR6HPGD | |
| SCHEMBL8353834 | 0.73 | ADORA3 (0.40) | KDM4EALDH1A1PTGS2 | |
| SCHEMBL5057002 | 0.72 | SMN1; SMN2 (0.45) | KDM4EHTR6PTGS2GCGR | |
| SCHEMBL15159109 | 0.66 | PDE2A (0.39) | KDM4EALDH1A1PDE2AHTR6 | |
| SCHEMBL23047161 | 0.65 | PDE10A (0.44) | KDM4EALDH1A1HTR6PTGS2HPGD | |
| SCHEMBL24066067 | 0.63 | HTR6 (0.36) | PDE2AHTR6PTGS2 | |
| SCHEMBL5062727 | 0.63 | HTR6 (0.40) | KDM4EALDH1A1HTR6PTGS2HPGD | |
| SCHEMBL21033150 | 0.63 | HTR6 (0.39) | KDM4EPDE2AHTR6PKMPTGS2 | |
| SCHEMBL15308500 | 0.62 | ALDH1A1 (0.45) | KDM4EALDH1A1HTR6PTGS2HPGD | |
| SCHEMBL18122086 | 0.62 | HTR6 (0.43) | ALDH1A1HTR6PTGS2HPGD |
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-2003006471-A1 | HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2003-01-23 | — | — | WO | disclosed |