Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 2/20 | 0.47 |
| ▸ | TPO | P07202 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HTR1F | P30939 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PRKCG | P05129 | 1/20 | 0.32 |
| ▸ | PRKCB | P05771 | 1/20 | 0.32 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | PRKCH | P24723 | 1/20 | 0.32 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29211290 | 0.84 | MPO (0.48) | MPOTPOALDH1A1HSD17B10GAA | |
| SCHEMBL29211286 | 0.83 | MPO (0.47) | MPOTPOALDH1A1HSD17B10GAA | |
| SCHEMBL28896358 | 0.68 | MPO (0.61) | MPOTPOALDH1A1HSD17B10GAA | |
| SCHEMBL28896535 | 0.67 | MPO (0.40) | MPOTPOALDH1A1HSD17B10GAA | |
| SCHEMBL2280952 | 0.64 | MPO (1.00) | MPOTPOALDH1A1HSD17B10GAA | |
| SCHEMBL2288062 | 0.64 | MPO (1.00) | MPOTPOALDH1A1HSD17B10GAA | |
| SCHEMBL1960671 | 0.64 | MPO (1.00) | MPOTPOALDH1A1HSD17B10GAA | |
| SCHEMBL30028868 | 0.63 | MPO (0.31) | MPOTPO | |
| SCHEMBL30029581 | 0.62 | MPO (0.46) | MPOTPOCYP3A4OPRM1 | |
| SCHEMBL28896226 | 0.62 | MPO (0.31) | MPOTPO |
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-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 |