Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.46 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22393745 | 0.84 | ADORA1 (0.36) | ADORA1PARP4PARP1PARP2ADORA3 | |
| SCHEMBL1918902 | 0.78 | ADORA1 (0.51) | ADORA1PARP4PARP1PARP2ADORA3 | |
| SCHEMBL22101275 | 0.76 | PARP4 (0.63) | PARP4PARP1PARP2TNKS2L3MBTL1 | |
| SCHEMBL22101352 | 0.74 | PRNP (0.48) | TNKS2GSK3BSMN1; SMN2TYMSKMT2A | |
| SCHEMBL22101768 | 0.69 | PIM1 (0.41) | PARP4PARP1PARP2GSK3BKMT2A | |
| SCHEMBL1128687 | 0.68 | NQO2 (0.47) | TNKS2GSK3BSMN1; SMN2TP53GAA | |
| SCHEMBL1918900 | 0.68 | EGLN1 (0.42) | ADORA1PARP4PARP1PARP2ADORA3 | |
| SCHEMBL3210466 | 0.68 | ADORA1 (0.70) | ADORA1ADORA3ADORA2ASMN1; SMN2L3MBTL1 | |
| SCHEMBL3208633 | 0.68 | GSK3B (0.38) | PARP4PARP1PARP2GSK3B | |
| SCHEMBL16167174 | 0.67 | GSK3B (0.39) | PARP4PARP1PARP2GSK3BSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3666772-A1 | DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2020-06-17 | — | — | EP | disclosed |