Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 7/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28896542 | 1.00 | AAK1 (0.45) | AAK1MAPTKDM4EATMNPSR1 | |
| SCHEMBL28896582 | 0.88 | AAK1 (0.45) | AAK1MAPTATMNPSR1SYK | |
| SCHEMBL28896584 | 0.88 | AAK1 (0.45) | AAK1MAPTATMNPSR1SYK | |
| SCHEMBL1536614 | 0.81 | ALDH1A1 (0.44) | MAPTKDM4ETDP1MEN1KMT2A | |
| SCHEMBL4393322 | 0.78 | KDM4E (0.41) | MAPTKDM4ENPSR1MEN1KMT2A | |
| SCHEMBL28896363 | 0.77 | ABCB1 (0.34) | AAK1MAPTKDM4EATMNPSR1 | |
| SCHEMBL28896256 | 0.75 | MAPT (0.36) | AAK1MAPTKDM4EATMNPSR1 | |
| SCHEMBL28896258 | 0.75 | MAPT (0.36) | AAK1MAPTKDM4EATMNPSR1 | |
| SCHEMBL29211242 | 0.75 | AAK1 (0.38) | AAK1MAPTKDM4EATMNPSR1 | |
| SCHEMBL1536739 | 0.72 | TSHR (0.45) | MAPTKDM4EMEN1KMT2APOLB |
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-115403584-B | 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115403584-A | 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-11-29 | — | — | CN | disclosed |