Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28895114 | 0.86 | ENPP2 (0.36) | RORCKDM4ECYP17A1ATRMAPT | |
| SCHEMBL16137967 | 0.86 | MAPT (0.41) | KDM4ECYP17A1ATRMAPTEGLN2 | |
| SCHEMBL28895279 | 0.81 | CA12 (0.41) | RORCKDM4ECYP17A1ATRMAPT | |
| SCHEMBL793197 | 0.80 | ATR (0.42) | RORCATRMAPTEGLN2SYK | |
| SCHEMBL19511628 | 0.78 | ATR (0.43) | CYP17A1ATRCA12CA1CA9 | |
| SCHEMBL15076460 | 0.77 | CA12 (0.40) | RORCCYP17A1EGLN2SYKCA12 | |
| SCHEMBL28895200 | 0.77 | SYK (0.36) | RORCKDM4ECYP17A1ATRMAPT | |
| SCHEMBL17629762 | 0.76 | RARA (0.43) | RORCCYP17A1EGLN2SYKCA12 | |
| SCHEMBL17643122 | 0.74 | CA12 (0.39) | RORCCYP17A1EGLN2SYKCA12 | |
| SCHEMBL15076459 | 0.74 | CA12 (0.40) | RORCCYP17A1EGLN2SYKCA12 |
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 |