Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATIC | P31939 | 4/20 | 0.41 |
| ▸ | GART | P22102 | 5/20 | 0.40 |
| ▸ | TYMS | P04818 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9001819 | 0.85 | ATIC (0.37) | ATICGARTTYMS | |
| SCHEMBL7831766 | 0.81 | ATIC (0.51) | ATICGARTTYMS | |
| SCHEMBL8566937 | 0.81 | MTR (0.44) | — | |
| SCHEMBL8567466 | 0.74 | MTR (0.41) | — | |
| SCHEMBL27891667 | 0.71 | PTGER4 (0.47) | ATICTYMS | |
| SCHEMBL7812453 | 0.71 | GART (0.69) | ATICGARTTYMS | |
| SCHEMBL9038667 | 0.68 | GART (0.64) | ATICGART | |
| SCHEMBL9215453 | 0.67 | GART (0.52) | ATICGARTTYMS | |
| SCHEMBL7612737 | 0.66 | GART (0.65) | ATICGARTTYMS | |
| SCHEMBL7742870 | 0.66 | DHFR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |