Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 19/20 | 0.53 |
| ▸ | TPO | P07202 | 17/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28896385 | 0.87 | MPO (0.52) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896559 | 0.87 | MPO (0.47) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896472 | 0.84 | MPO (0.50) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28959821 | 0.75 | MPO (0.45) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896370 | 0.75 | MPO (0.57) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL1536784 | 0.74 | MPO (0.66) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896597 | 0.74 | MPO (0.54) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896595 | 0.74 | MPO (0.54) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28896389 | 0.73 | MPO (0.50) | MPOTPOOPRM1CYP3A4KCNH2 | |
| SCHEMBL28959830 | 0.71 | MPO (0.52) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |