Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 3/20 | 0.37 |
| ▸ | CCND1 | P24385 | 3/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | WEE1 | P30291 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19257497 | 0.83 | PARP1 (0.40) | PARP1CDK4CCND1NISCHIDO1 | |
| SCHEMBL17660907 | 0.75 | KIF11 (0.51) | BCHEKIF11PARP14 | |
| SCHEMBL24117184 | 0.75 | WEE1 (0.38) | PARP1CDK4CCND1NISCHIDO1 | |
| SCHEMBL22011550 | 0.75 | ALDH1A1 (0.58) | PARP1NISCHIDO1BCHEALDH1A1 | |
| SCHEMBL30899152 | 0.75 | ALDH1A1 (0.58) | PARP1NISCHIDO1BCHEALDH1A1 | |
| SCHEMBL19257407 | 0.74 | CDK4 (0.36) | CDK4CCND1BCHEALDH1A1KIF11 | |
| SCHEMBL5890646 | 0.69 | KDM4E (0.52) | NISCHIDO1ALDH1A1KDM4ERXFP1 | |
| SCHEMBL31087243 | 0.69 | KDM4E (0.52) | NISCHIDO1ALDH1A1KDM4ERXFP1 | |
| SCHEMBL3727430 | 0.67 | ALDH1A1 (0.56) | PARP1CDK4CCND1BCHEALDH1A1 | |
| SCHEMBL29671006 | 0.67 | ALDH1A1 (0.56) | PARP1CDK4CCND1BCHEALDH1A1 |
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-2017135717-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME | 덕산네오룩스 주식회사 | 2017-08-10 | — | — | WO | disclosed |