Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 4/20 | 0.36 |
| ▸ | MAOB | P27338 | 4/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29123094 | 0.90 | MAOB (0.38) | TSHRMAPK1MAOAMAOB | |
| SCHEMBL29122550 | 0.86 | DAO (0.39) | DAOMAOAMAOB | |
| SCHEMBL29123132 | 0.86 | ADORA2A (0.39) | MAOB | |
| SCHEMBL29122746 | 0.85 | ATM (0.36) | TSHRMAOBANPEPDPP4 | |
| SCHEMBL30779741 | 0.85 | LTB4R (0.40) | TSHRMAPK1 | |
| SCHEMBL30779673 | 0.85 | KDM4C (0.36) | — | |
| SCHEMBL29123271 | 0.85 | LTB4R (0.40) | TSHRMAPK1 | |
| SCHEMBL29123107 | 0.85 | KDM4C (0.36) | — | |
| SCHEMBL29123259 | 0.84 | ATM (0.38) | MAOB | |
| SCHEMBL29123365 | 0.83 | ADORA2A (0.42) | TSHRMAPK1MAOBANPEPDPP4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117186045-A | Isobenzofuran-1 (3H) -ketone TREK-1 inhibitor, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2023-12-08 | — | — | CN | disclosed |