Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 2/20 | 0.59 |
| ▸ | CCND1 | P24385 | 2/20 | 0.59 |
| ▸ | GABRA1 | P14867 | 8/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 8/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 8/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 8/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 8/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.46 |
| ▸ | GABRP | O00591 | 5/20 | 0.46 |
| ▸ | GABRD | O14764 | 5/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 5/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 5/20 | 0.46 |
| ▸ | GABRE | P78334 | 5/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 5/20 | 0.46 |
| ▸ | GABRG1 | Q8N1C3 | 5/20 | 0.46 |
| ▸ | GABRG3 | Q99928 | 5/20 | 0.46 |
| ▸ | GABRQ | Q9UN88 | 5/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1458276 | 1.00 | CDK4 (0.59) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL29946446 | 0.79 | CDK4 (0.55) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL542799 | 0.79 | CDK4 (0.55) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| Benzene SCHEMBL29042456 | 0.78 | CDK4 (0.54) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL21398149 | 0.77 | CDK4 (0.43) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL2391060 | 0.76 | GABRA1 (0.53) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL30320037 | 0.76 | GABRA1 (0.53) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL8134425 | 0.76 | CDK4 (0.53) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL2461988 | 0.76 | CDK4 (0.53) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL21398086 | 0.75 | CDK4 (0.42) | CDK4CCND1GABRA1GABRG2GABRB3 |
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-112745322-B | Organic material and application thereof in organic electroluminescent device | 北京燕化集联光电技术有限公司 | 2022-12-02 | — | — | CN | disclosed |
| CN-112745321-B | Compound containing indoloquinazolinedione structure and application thereof | 北京燕化集联光电技术有限公司 | 2022-12-02 | — | — | CN | disclosed |