Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.50 |
| ▸ | ATIC | P31939 | 3/20 | 0.46 |
| ▸ | SHMT1 | P34896 | 3/20 | 0.46 |
| ▸ | SHMT2 | P34897 | 3/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.46 |
| ▸ | GART | P22102 | 2/20 | 0.44 |
| ▸ | EP300 | Q09472 | 6/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8564668 | 0.95 | ATIC (0.48) | TLR7ATICSHMT1SHMT2TBXAS1 | |
| SCHEMBL8563771 | 0.84 | TLR7 (0.45) | TLR7ATICSHMT1SHMT2GART | |
| SCHEMBL8563883 | 0.80 | ATIC (0.74) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8563875 | 0.80 | ATIC (0.74) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8564667 | 0.77 | DHFR (0.38) | TLR7DHFRPOLBMAPTKMT2A | |
| SCHEMBL9001785 | 0.76 | TLR7 (0.44) | TLR7ATICSHMT1SHMT2TBXAS1 | |
| SCHEMBL8570466 | 0.74 | DHFR (0.39) | TLR7DHFRPOLBMAPTKMT2A | |
| SCHEMBL9001870 | 0.74 | ATIC (0.73) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8567736 | 0.73 | ATIC (0.66) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8567743 | 0.73 | ATIC (0.66) | ATICSHMT1SHMT2GARTDHFR |
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 |