Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 3/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6364212 | 0.85 | LMNA (0.40) | GAAERN1CCNB2CDK1CDK4 | |
| SCHEMBL14457224 | 0.84 | ERN1 (0.54) | GAAERN1CCNB2CDK1CDK4 | |
| SCHEMBL4951715 | 0.83 | CCNB2 (0.42) | ERN1CCNB2CDK1CDK4CCNB1 | |
| SCHEMBL8582404 | 0.83 | NR1H4 (0.46) | GAAERN1CCNB2CDK1CDK4 | |
| SCHEMBL4567003 | 0.82 | FFAR4 (0.46) | GAAERN1CCNB2CDK1CDK4 | |
| SCHEMBL1067302 | 0.80 | ALDH1A1 (0.58) | ERN1CCNB2CDK1CDK4CCNB1 | |
| SCHEMBL26075664 | 0.79 | CCNB2 (0.46) | GAAERN1CCNB2CDK1CDK4 | |
| SCHEMBL31113771 | 0.78 | ERN1 (0.54) | ERN1CCNB2CDK1CDK4CCNB1 | |
| SCHEMBL20982624 | 0.78 | ERN1 (0.59) | ERN1CCNB2CDK1CDK4CCNB1 | |
| SCHEMBL3920063 | 0.78 | MAOB (0.51) | ERN1CCNB2CDK1CDK4CCNB1 |
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-106349241-A | Triazole derivative having HSP90 (Heat Shock Protein) inhibiting activity, as well as preparation method and application of triazole derivative | 上海翰森生物医药科技有限公司 | 2017-01-25 | — | — | CN | disclosed |