Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | CCNK | O75909 | 1/20 | 0.38 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28028883 | 0.85 | ALDH1A1 (0.46) | ALDH1A1TSHRKDM4EGLACYP1A2 | |
| SCHEMBL28298285 | 0.82 | NUDT1 (0.43) | ALDH1A1TSHRKDM4ECYP1A2CYP3A4 | |
| SCHEMBL292619 | 0.76 | KDM4E (0.66) | ALDH1A1TSHRKDM4EGLAPIK3CA | |
| SCHEMBL28142353 | 0.70 | CCNK (0.42) | ALDH1A1TSHRKDM4ECYP1A2CYP3A4 | |
| SCHEMBL28298231 | 0.68 | KDM4E (0.54) | ALDH1A1KDM4EGLA | |
| SCHEMBL28299587 | 0.68 | PIK3CD (0.47) | PIK3CA | |
| SCHEMBL28298290 | 0.68 | PIK3CG (0.43) | PIK3CA | |
| SCHEMBL28028891 | 0.68 | ALDH1A1 (0.44) | ALDH1A1TSHRKDM4ECYP1A2CYP3A4 | |
| SCHEMBL7215328 | 0.68 | KDM4C (0.46) | TSHRKDM4ECYP1A2HSD17B10ADORA3 | |
| SCHEMBL11155789 | 0.66 | PDE3B (0.46) | ALDH1A1TSHRKDM4ECYP1A2CYP3A4 |
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-109846884-A | With TOR kinase inhibitor for treating cancer | 西格诺药品有限公司 | 2019-06-07 | — | — | CN | disclosed |