Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 19/20 | 0.40 |
| ▸ | TPO | P07202 | 17/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28959821 | 0.87 | MPO (0.45) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896507 | 0.84 | MPO (0.42) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896462 | 0.80 | MPO (0.48) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896559 | 0.78 | MPO (0.47) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896563 | 0.72 | MPO (0.45) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28959823 | 0.70 | MPO (0.46) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896471 | 0.67 | MPO (0.53) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896465 | 0.65 | MPO (0.53) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896348 | 0.60 | MPO (0.50) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896570 | 0.60 | MPO (0.49) | MPOTPOOPRM1CYP3A4KCNH2 |
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 |