Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOD1 | Q9Y239 | 6/20 | 0.48 |
| ▸ | NOD2 | Q9HC29 | 5/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10002821 | 0.83 | NOD1 (0.57) | NOD1NOD2ALOX5LMNAKDM4E | |
| SCHEMBL10003220 | 0.81 | NOD2 (0.73) | NOD1NOD2ALOX5LMNAKDM4E | |
| SCHEMBL22670414 | 0.81 | LMNA (0.46) | NOD1NOD2ALOX5THRBLMNA | |
| SCHEMBL10004609 | 0.80 | NOD2 (0.47) | NOD1NOD2ALOX5THRBLMNA | |
| SCHEMBL6958148 | 0.77 | MCL1 (0.55) | NOD1NOD2ALOX5THRBLMNA | |
| SCHEMBL10003003 | 0.75 | ALOX5 (0.43) | NOD1NOD2ALOX5THRBLMNA | |
| SCHEMBL10003002 | 0.75 | ALOX5 (0.43) | NOD1NOD2ALOX5THRBLMNA | |
| SCHEMBL17433409 | 0.75 | CCR2 (0.54) | NOD1NOD2LMNAALDH1A1CCR2 | |
| SCHEMBL28531301 | 0.73 | ACLY (0.53) | NOD1NOD2LMNAL3MBTL1TP53 | |
| SCHEMBL16015317 | 0.73 | ALOX5 (0.41) | NOD1NOD2ALOX5THRBLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109952295-B | CDK4/6 inhibitor and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2021-04-06 | — | — | CN | disclosed |
| WO-2018045957-A1 | CDK4/6 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏豪森药业集团有限公司 | 2018-03-15 | — | — | WO | disclosed |