Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 11/20 | 0.57 |
| ▸ | GSK3B | P49841 | 11/20 | 0.57 |
| ▸ | CDK5 | Q00535 | 7/20 | 0.57 |
| ▸ | CDK5R1 | Q15078 | 7/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.54 |
| ▸ | APAF1 | O14727 | 1/20 | 0.54 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HK1 | P19367 | 1/20 | 0.54 |
| ▸ | GALK1 | P51570 | 1/20 | 0.54 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.53 |
| ▸ | CDK2 | P24941 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28894653 | 0.85 | MAPT (0.61) | GSK3AGSK3BCDK5CDK5R1MAPT | |
| SCHEMBL29594088 | 0.85 | MAPT (0.61) | GSK3AGSK3BCDK5CDK5R1MAPT | |
| SCHEMBL14455170 | 0.85 | MAPT (0.56) | GSK3AGSK3BCDK5CDK5R1MAPT | |
| SCHEMBL28425832 | 0.82 | ALDH1A1 (0.54) | GSK3AGSK3BCDK5CDK5R1MAPT | |
| SCHEMBL28425347 | 0.82 | ALDH1A1 (0.54) | GSK3AGSK3BCDK5CDK5R1MAPT | |
| SCHEMBL28428006 | 0.82 | ALDH1A1 (0.54) | GSK3AGSK3BCDK5CDK5R1MAPT | |
| SCHEMBL28433636 | 0.81 | GSK3A (0.53) | GSK3AGSK3BCDK5CDK5R1MAPT | |
| SCHEMBL21316073 | 0.80 | MEN1 (0.63) | GSK3AGSK3BCDK5CDK5R1MAPT | |
| SCHEMBL31106541 | 0.79 | S100A4 (0.58) | GSK3AGSK3BCDK5CDK5R1MAPT | |
| SCHEMBL28429954 | 0.78 | CCNB2 (0.56) | GSK3AGSK3BCDK5CDK5R1MAPT |
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-110229152-B | 2-bit disubstituted indoline-3-ketone compound and asymmetric synthesis method thereof | 中国药科大学 | 2020-06-23 | — | — | CN | claimed |
| CN-110229152-B | 2-bit disubstituted indoline-3-ketone compound and asymmetric synthesis method thereof | 中国药科大学 | 2020-06-23 | — | — | CN | disclosed |