Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL29123410 | 1.00 | MAOB (0.36) | MAOBSIRT2SIRT1MDM2KMT2A | |
| SCHEMBL30779698 | 0.85 | MAPK1 (0.37) | MAOBMDM2DPP4ATMHPGD | |
| SCHEMBL29123596 | 0.85 | MAPK1 (0.37) | MAOBMDM2DPP4ATMHPGD | |
| SCHEMBL29123342 | 0.82 | MAOB (0.44) | MAOBKMT2AATMALDH1A1HPGD | |
| SCHEMBL29123365 | 0.81 | ADORA2A (0.42) | MAOBKMT2ADPP4ATMALDH1A1 | |
| SCHEMBL29122608 | 0.78 | ADORA2A (0.45) | MAOBKMT2ATSHR | |
| SCHEMBL30525264 | 0.75 | ADORA2A (0.37) | MAOBATM | |
| SCHEMBL29122621 | 0.75 | MAOB (0.39) | MAOBATMKDM4ETSHR | |
| SCHEMBL29122746 | 0.73 | ATM (0.36) | MAOBDPP4ATMALDH1A1NPC1 | |
| SCHEMBL30525252 | 0.73 | ADORA2A (0.45) | — |
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 |