Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 9/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 9/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 9/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 9/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 9/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 9/20 | 0.41 |
| ▸ | GABRP | O00591 | 6/20 | 0.41 |
| ▸ | GABRD | O14764 | 6/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 6/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 6/20 | 0.41 |
| ▸ | GABRE | P78334 | 6/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 6/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 6/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 6/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 6/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21398149 | 0.84 | CDK4 (0.43) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL16751670 | 0.78 | GABRA1 (0.41) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL29819648 | 0.75 | GABRA1 (0.51) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL29655467 | 0.75 | GABRA1 (0.51) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL31846 | 0.75 | GABRA1 (0.51) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL16484309 | 0.75 | GABRA1 (0.58) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL22483141 | 0.75 | CYP1A2 (0.42) | — | |
| SCHEMBL1458276 | 0.75 | CDK4 (0.59) | CDK4CCND1GABRA1GABRG2GABRB3 | |
| SCHEMBL30356598 | 0.75 | CYP1A2 (0.42) | — | |
| SCHEMBL30103963 | 0.75 | CDK4 (0.59) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019179497-A1 | ORGANIC COMPOUND WITH PYRIDINE AS CORE AND USE THEREOF | 江苏三月光电科技有限公司 | 2019-09-26 | — | — | WO | disclosed |