Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATIC | P31939 | 2/20 | 0.46 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.46 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 6/20 | 0.43 |
| ▸ | MTR | Q99707 | 1/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.40 |
| ▸ | GART | P22102 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9001930 | 0.95 | ATIC (0.48) | ATICFOLR2FOLR1DHFRMTR | |
| SCHEMBL8568731 | 0.92 | DHFR (0.47) | ATICFOLR2FOLR1DHFRMTR | |
| SCHEMBL8565987 | 0.88 | FOLR2 (0.49) | ATICFOLR2FOLR1DHFRMTR | |
| SCHEMBL9001801 | 0.87 | DHFR (0.53) | ATICDHFRMTRTYMSGART | |
| SCHEMBL9001799 | 0.84 | DHFR (0.54) | ATICDHFRMTRTYMSGART | |
| SCHEMBL9001752 | 0.84 | GART (0.53) | ATICFOLR2FOLR1GART | |
| SCHEMBL9001769 | 0.81 | FOLR1 (0.49) | ATICFOLR2FOLR1GART | |
| SCHEMBL8571475 | 0.79 | DHFR (0.57) | DHFRMTRGART | |
| SCHEMBL9387643 | 0.78 | GART (0.59) | ATICFOLR2FOLR1DHFRGART | |
| SCHEMBL9387634 | 0.78 | GART (0.59) | ATICFOLR2FOLR1DHFRGART |
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 |