Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.59 |
| ▸ | TP53 | P04637 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | CASP3 | P42574 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | IDH1 | O75874 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | BRAF | P15056 | 3/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30949384 | 0.92 | MAPT (0.51) | EPHX2TP53MEN1KMT2AMAPT | |
| SCHEMBL30949374 | 0.85 | TP53 (0.63) | TP53MEN1KMT2AMAPTHTT | |
| SCHEMBL30949376 | 0.84 | AURKB (0.62) | TP53MEN1KMT2AMAPTAURKB | |
| SCHEMBL30949380 | 0.83 | MGLL (0.63) | EPHX2TP53MEN1KMT2AMAPT | |
| SCHEMBL14082967 | 0.82 | TRPV1 (0.66) | MEN1KMT2AMAPTHTR2ANPC1 | |
| SCHEMBL30469266 | 0.81 | CNR1 (0.68) | — | |
| SCHEMBL20557483 | 0.81 | CNR1 (0.68) | — | |
| SCHEMBL30949383 | 0.81 | NPC1 (0.59) | TP53MEN1KMT2AMAPTNPSR1 | |
| SCHEMBL30949387 | 0.80 | AURKB (0.51) | TP53MAPTAURKBGAAKDR | |
| SCHEMBL30949379 | 0.80 | AURKB (0.62) | TP53MEN1KMT2AMAPTCASP3 |
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-118165004-A | Type-II GSK-3 beta inhibitor and preparation method and application thereof | 山东大学 | 2024-06-11 | — | — | CN | claimed |
| CN-118165004-A | Type-II GSK-3 beta inhibitor and preparation method and application thereof | 山东大学 | 2024-06-11 | — | — | CN | disclosed |