Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.61 |
| ▸ | ITK | Q08881 | 5/20 | 0.61 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | TGM2 | P21980 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | CDK7 | P50613 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | CCNH | P51946 | 1/20 | 0.43 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 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 | |
|---|---|---|---|---|
| SCHEMBL20209233 | 0.88 | EGFR (0.52) | EGFRITKHRH3KDRTGM2 | |
| SCHEMBL28376476 | 0.88 | EGFR (0.58) | EGFRITKHRH3KDRTGM2 | |
| SCHEMBL28376609 | 0.86 | RORC (0.58) | EGFRITKTBK1 | |
| SCHEMBL28426333 | 0.85 | EGFR (0.49) | EGFRITKHRH3KDRTGM2 | |
| SCHEMBL28439175 | 0.85 | EGFR (0.49) | EGFRITKHRH3KDRTGM2 | |
| SCHEMBL28371428 | 0.85 | POLB (0.56) | EGFRITKTBK1TGM2 | |
| SCHEMBL28372603 | 0.85 | PDE4D (0.53) | EGFRITKTBK1TGM2 | |
| SCHEMBL24968537 | 0.83 | P2RX4 (0.51) | EGFRITK | |
| SCHEMBL28371190 | 0.80 | TGM2 (0.54) | EGFRHRH3TBK1TGM2 | |
| SCHEMBL28375853 | 0.78 | PDE4D (0.54) | EGFRITK |
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-110981876-B | 8-substituted styrylxanthine derivatives and uses thereof | 广东东阳光药业有限公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-110981876-A | 8-substituted styrylxanthine derivatives and uses thereof | 广东东阳光药业有限公司 | 2020-04-10 | — | — | CN | disclosed |