Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | RPS6KB2 | Q9UBS0 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.34 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29350983 | 0.85 | CDK5 (0.45) | CDK5CDK5R1KDM4EALDH1A1RPS6KB2 | |
| SCHEMBL29350985 | 0.85 | CDK5 (0.45) | CDK5CDK5R1KDM4EALDH1A1RPS6KB2 | |
| SCHEMBL28672805 | 0.81 | MAPT (0.39) | SMN1; SMN2KDM4EALDH1A1RPS6KB2EPHX2 | |
| SCHEMBL29349648 | 0.81 | MAPT (0.39) | SMN1; SMN2KDM4EALDH1A1RPS6KB2EPHX2 | |
| SCHEMBL29351028 | 0.80 | CDK5 (0.39) | SMN1; SMN2CDK5CDK5R1KDM4EALDH1A1 | |
| SCHEMBL28697652 | 0.76 | ADORA2A (0.43) | SMN1; SMN2CDK5CDK5R1KDM4EALDH1A1 | |
| SCHEMBL29350969 | 0.76 | KDM4E (0.36) | SMN1; SMN2KDM4EALDH1A1GAANPSR1 | |
| SCHEMBL29350946 | 0.74 | ADORA2A (0.41) | SMN1; SMN2KDM4EALDH1A1RPS6KB2GAA | |
| SCHEMBL28877299 | 0.73 | SMN1; SMN2 (0.37) | SMN1; SMN2KDM4EALDH1A1RPS6KB2GAA | |
| SCHEMBL29349636 | 0.73 | ALDH1A1 (0.40) | SMN1; SMN2CDK5CDK5R1KDM4EALDH1A1 |
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-113956295-B | Iridium metal complex, application thereof and organic electroluminescent device | 清华大学 | 2023-04-11 | — | — | CN | disclosed |
| CN-113956295-A | Iridium metal complex, application thereof and organic electroluminescent device | 清华大学 | 2022-01-21 | — | — | CN | disclosed |