Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | PTP4A3 | O75365 | 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 | |
|---|---|---|---|---|
| SCHEMBL29122912 | 0.85 | MAOB (0.41) | CYP1A2MAPK1MAOBATM | |
| SCHEMBL29123312 | 0.84 | CYP1A2 (0.39) | CYP1A2MAPK1MAOBHTTATM | |
| SCHEMBL29123169 | 0.84 | TP53 (0.50) | CYP1A2MAPK1ADORA2AMAOBHTT | |
| SCHEMBL30779698 | 0.81 | MAPK1 (0.37) | CYP1A2MAPK1MAOBTSHRATM | |
| SCHEMBL29123596 | 0.81 | MAPK1 (0.37) | CYP1A2MAPK1MAOBTSHRATM | |
| SCHEMBL29122954 | 0.81 | ADORA2A (0.41) | CYP1A2MAPK1ADORA2AMAOB | |
| SCHEMBL30525231 | 0.80 | MAOB (0.37) | CYP1A2MAPK1MAOB | |
| SCHEMBL29123242 | 0.79 | MDM2 (0.38) | MAOBATMCHRM5SLC6A4 | |
| SCHEMBL29123157 | 0.76 | MAOB (0.38) | CYP1A2MAPK1MAOBATM | |
| SCHEMBL30525254 | 0.76 | ADORA2A (0.41) | ADORA2AMAOB |
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 |