Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATIC | P31939 | 5/20 | 0.49 |
| ▸ | SHMT1 | P34896 | 5/20 | 0.49 |
| ▸ | SHMT2 | P34897 | 5/20 | 0.49 |
| ▸ | GART | P22102 | 3/20 | 0.49 |
| ▸ | DHFR | P00374 | 5/20 | 0.43 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8570681 | 1.00 | ATIC (0.49) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8571222 | 0.93 | ATIC (0.53) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8571212 | 0.93 | ATIC (0.53) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8569042 | 0.90 | ATIC (0.51) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8569034 | 0.90 | ATIC (0.51) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL9001782 | 0.86 | ATIC (0.68) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8570081 | 0.86 | ATIC (0.54) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8570075 | 0.86 | ATIC (0.54) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8564205 | 0.85 | DHFR (0.58) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8564196 | 0.85 | DHFR (0.58) | 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 |