Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 3/20 | 0.34 |
| ▸ | DHFR | P00374 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8566860 | 0.89 | CA12 (0.34) | DHFRKDM4EALDH1A1GLAGAA | |
| SCHEMBL8572863 | 0.86 | DHFR (0.37) | SLC2A1DHFRALDH1A1MAPTHPGD | |
| SCHEMBL27381948 | 0.79 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL8564223 | 0.75 | TLR7 (0.37) | SLC2A1DHFRKDM4EALDH1A1GLA | |
| SCHEMBL8564228 | 0.75 | TLR7 (0.37) | SLC2A1DHFRKDM4EALDH1A1GLA | |
| SCHEMBL8571595 | 0.73 | TLR7 (0.38) | SLC2A1DHFRKDM4EALDH1A1GLA | |
| SCHEMBL8563771 | 0.72 | TLR7 (0.45) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8564661 | 0.69 | DHFR (0.39) | DHFRALDH1A1MAPTHPGDTLR7 | |
| SCHEMBL6367420 | 0.67 | TSHR (0.47) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL3643386 | 0.65 | CA12 (0.48) | KDM4EMAPTHPGDHIF1ATHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0530579-B1 | Condensed pyrimidine derivatives antitumor agents | EISAI CO LTD (JP) | 1998-11-11 | — | — | EP | disclosed |
| US-5554615-A | ANTITUMOR | EISAI CO., LTD. (JP) | 1996-09-10 | — | — | US | disclosed |
| EP-0530579-A1 | Condensed pyrimidine derivatives antitumor agents | Eisai Co., Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |