Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 19/20 | 0.47 |
| ▸ | TPO | P07202 | 18/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28896544 | 0.84 | MPO (0.60) | MPOTPOKCNH2CYP3A4 | |
| SCHEMBL30028922 | 0.75 | MPO (0.54) | MPOTPOKCNH2CYP3A4OPRM1 | |
| SCHEMBL30029669 | 0.74 | MPO (0.68) | MPOTPOKCNH2CYP3A4 | |
| SCHEMBL28896070 | 0.74 | MPO (0.68) | MPOTPOKCNH2CYP3A4 | |
| SCHEMBL30601263 | 0.74 | MPO (0.67) | MPOTPOKCNH2CYP3A4OPRM1 | |
| SCHEMBL28896302 | 0.74 | MPO (0.57) | MPOTPOKCNH2CYP3A4OPRM1 | |
| SCHEMBL28896826 | 0.74 | MPO (0.51) | MPOTPOKCNH2CYP3A4OPRM1 | |
| SCHEMBL28896356 | 0.73 | MPO (0.50) | MPOTPOKCNH2CYP3A4OPRM1 | |
| SCHEMBL28896572 | 0.73 | MPO (0.50) | MPOTPOKCNH2CYP3A4OPRM1 | |
| SCHEMBL28896337 | 0.72 | MPO (0.51) | MPOTPOKCNH2CYP3A4OPRM1 |
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 |