Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 8/20 | 0.54 |
| ▸ | GART | P22102 | 3/20 | 0.53 |
| ▸ | MTR | Q99707 | 1/20 | 0.51 |
| ▸ | ATIC | P31939 | 1/20 | 0.50 |
| ▸ | TYMS | P04818 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9001801 | 0.95 | DHFR (0.53) | DHFRGARTMTRATICTYMS | |
| SCHEMBL1066004 | 0.92 | DHFR (0.59) | DHFRGARTMTRATIC | |
| SCHEMBL9001930 | 0.88 | ATIC (0.48) | DHFRGARTMTRATICTYMS | |
| SCHEMBL8571475 | 0.87 | DHFR (0.57) | DHFRGARTMTR | |
| SCHEMBL9001769 | 0.85 | FOLR1 (0.49) | GARTATIC | |
| SCHEMBL9446088 | 0.85 | GART (0.53) | DHFRGARTMTRATIC | |
| SCHEMBL8997205 | 0.85 | GART (0.60) | DHFRGARTATICTYMS | |
| SCHEMBL9001791 | 0.84 | ATIC (0.46) | DHFRGARTMTRATICTYMS | |
| SCHEMBL9001907 | 0.84 | DHFR (0.53) | DHFRMTRATIC | |
| SCHEMBL9844814 | 0.83 | DHFR (0.52) | DHFRGARTATICTYMS |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0438261-A2 | Condensed heterocyclic glutamic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-07-24 | — | — | EP | claimed |
| 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 |
| EP-0438261-A2 | Condensed heterocyclic glutamic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-07-24 | — | — | EP | disclosed |