Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.39 |
| ▸ | RPS6KB2 | Q9UBS0 | 2/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29350985 | 0.89 | CDK5 (0.45) | CDK5CDK5R1RPS6KB2DHFRCCNB2 | |
| SCHEMBL29350983 | 0.89 | CDK5 (0.45) | CDK5CDK5R1RPS6KB2DHFRCCNB2 | |
| SCHEMBL29351028 | 0.80 | CDK5 (0.39) | CDK5CDK5R1RPS6KB2DHFRCCNB2 | |
| SCHEMBL28681349 | 0.78 | ADORA2A (0.44) | ADORA2AADORA1CDK5CDK5R1RPS6KB2 | |
| SCHEMBL29349674 | 0.78 | ADORA2A (0.44) | ADORA2AADORA1CDK5CDK5R1RPS6KB2 | |
| SCHEMBL29349636 | 0.76 | ALDH1A1 (0.40) | ADORA2AADORA1CDK5CDK5R1RPS6KB2 | |
| SCHEMBL28673333 | 0.76 | SMN1; SMN2 (0.37) | CDK5CDK5R1RPS6KB2DHFRCCNB2 | |
| SCHEMBL29350946 | 0.74 | ADORA2A (0.41) | ADORA2AADORA1RPS6KB2DHFRALDH1A1 | |
| SCHEMBL28687110 | 0.74 | ADORA2A (0.41) | ADORA2AADORA1RPS6KB2CYP3A4CYP2C9 | |
| SCHEMBL28679028 | 0.72 | KDM4E (0.41) | ADORA2AADORA1ALDH1A1KDM4EMEN1 |
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 |