Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 4/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | LEF1 | Q9UJU2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16137967 | 0.87 | MAPT (0.41) | ENPP2KDM4ECYP17A1ATRMAPT | |
| SCHEMBL28895294 | 0.86 | RORC (0.35) | ENPP2AAK1KDM4ECYP17A1ATR | |
| SCHEMBL28895279 | 0.82 | CA12 (0.41) | ENPP2KDM4ECYP17A1ATRMAPT | |
| SCHEMBL793197 | 0.81 | ATR (0.42) | ENPP2ATRMAPTEGLN2SYK | |
| SCHEMBL22941793 | 0.79 | CA12 (0.44) | AAK1CYP17A1SYKRORCCA12 | |
| SCHEMBL22941851 | 0.78 | CA12 (0.41) | AAK1KDM4ECYP17A1SYKRORC | |
| SCHEMBL28895200 | 0.78 | SYK (0.36) | ENPP2KDM4ECYP17A1ATRMAPT | |
| SCHEMBL13928829 | 0.77 | CYP17A1 (0.36) | AAK1CYP17A1EGLN2SYKCA12 | |
| SCHEMBL12931081 | 0.77 | CYP17A1 (0.36) | ENPP2AAK1KDM4ECYP17A1RORC | |
| SCHEMBL17629762 | 0.77 | RARA (0.43) | CYP17A1EGLN2SYKRORCCA12 |
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-114315805-A | Aromatic ring-fused cyclic lactone thiohydantoin compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2022-04-12 | — | — | CN | disclosed |