Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29123132 | 0.88 | ADORA2A (0.39) | ATMMAOB | |
| SCHEMBL29123365 | 0.87 | ADORA2A (0.42) | ATMANPEPDPP4MAOBNPC1 | |
| SCHEMBL29122950 | 0.85 | DAO (0.39) | ANPEPDPP4MAOBTSHR | |
| SCHEMBL29122914 | 0.85 | ATM (0.52) | ATMMAOBALDH1A1TSHR | |
| SCHEMBL29123157 | 0.85 | MAOB (0.38) | ATMMAOB | |
| SCHEMBL29123342 | 0.83 | MAOB (0.44) | ATMMAOBNPC1ALDH1A1TSHR | |
| SCHEMBL29123259 | 0.82 | ATM (0.38) | ATMMAOB | |
| SCHEMBL29122943 | 0.80 | ADORA2A (0.39) | ATMANPEPDPP4MAOB | |
| SCHEMBL30525264 | 0.79 | ADORA2A (0.37) | ATMMAOB | |
| SCHEMBL29122748 | 0.77 | HTR2C (0.46) | — |
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 |