Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29123342 | 0.88 | MAOB (0.44) | MAOBATMTP53POLBMEN1 | |
| SCHEMBL29122746 | 0.87 | ATM (0.36) | MAOBANPEPDPP4ATMNPC1 | |
| SCHEMBL29122943 | 0.85 | ADORA2A (0.39) | ADORA2AMAOBANPEPDPP4ATM | |
| SCHEMBL29123132 | 0.85 | ADORA2A (0.39) | ADORA2AMAOBATM | |
| SCHEMBL29123169 | 0.84 | TP53 (0.50) | ADORA2AMAOBATMTP53POLB | |
| SCHEMBL30525264 | 0.83 | ADORA2A (0.37) | ADORA2AMAOBATM | |
| SCHEMBL29122914 | 0.83 | ATM (0.52) | MAOBATMALDH1A1CYP3A4TSHR | |
| SCHEMBL29122950 | 0.83 | DAO (0.39) | MAOBANPEPDPP4TSHRMAPK1 | |
| SCHEMBL30779714 | 0.81 | MAOB (0.36) | MAOBDPP4ATMTP53MAPT | |
| SCHEMBL29122608 | 0.81 | ADORA2A (0.45) | ADORA2AMAOBPOLBGAAKMT2A |
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 2 patents. 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 |
| CN-116535397-A | Isobenzofuran-1 (3H) -one compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2023-08-04 | — | — | CN | disclosed |