Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2289477 | 0.88 | KDM4E (0.50) | GSK3BCDK5CDK5R1KDM4EALPL | |
| Pyridine SCHEMBL28166972 | 0.80 | ALDH1A1 (0.50) | GSK3BCDK5CDK5R1KDM4EGAA | |
| SCHEMBL28065244 | 0.80 | HPRT1 (0.52) | GSK3BCDK5CDK5R1KDM4EALPL | |
| SCHEMBL26259996 | 0.78 | AURKA (0.48) | GSK3BCDK5CDK5R1KDM4EALPL | |
| SCHEMBL26259949 | 0.74 | CDK2 (0.42) | ALDH1A1HSD17B10AURKAKDR | |
| SCHEMBL21725404 | 0.74 | ENPP3 (0.41) | KDM4EALPLGAAALDH1A1HPGD | |
| Pyridine SCHEMBL28139351 | 0.73 | CYP3A4 (0.45) | NISCHTSHRTDP1CYP2D6CYP2C9 | |
| SCHEMBL940321 | 0.73 | KDM4E (0.46) | GSK3BCDK5CDK5R1KDM4EALPL | |
| SCHEMBL27947964 | 0.73 | AURKA (0.39) | GSK3BCDK5CDK5R1KDM4EALPL | |
| Pyridine SCHEMBL28547162 | 0.72 | CYP3A4 (0.44) | NISCHTSHRTDP1CYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103872250-B | A kind of electroluminescent device | 潘才法 | 2018-03-13 | — | — | CN | disclosed |
| CN-106556661-A | Analyte derivatization and the method for strengthening gentle ionization | 安捷伦科技有限公司 | 2017-04-05 | — | — | CN | disclosed |
| CN-104955821-B | Diazanyl benzazolyl compounds and conjugate | 雷德伍德生物科技股份有限公司 | 2017-03-15 | — | — | CN | disclosed |
| CN-101242817-B | HIF1 alpha modulators purposes in treatment cancer | 菲布罗根公司 | 2016-08-31 | — | — | CN | disclosed |