Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.57 |
| ▸ | MTR | Q99707 | 1/20 | 0.55 |
| ▸ | GART | P22102 | 3/20 | 0.52 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.48 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.48 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.48 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.48 |
| ▸ | ATIC | P31939 | 1/20 | 0.47 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.47 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8571475 | 0.87 | DHFR (0.57) | DHFRMTRGART | |
| SCHEMBL1066004 | 0.85 | DHFR (0.59) | DHFRMTRGARTATIC | |
| SCHEMBL8571393 | 0.85 | ATIC (0.59) | DHFRMTRATIC | |
| SCHEMBL9043308 | 0.85 | DHFR (0.57) | DHFRGARTFOLR2FOLR1SLC19A1 | |
| SCHEMBL8603963 | 0.85 | DHFR (0.55) | DHFRMTR | |
| SCHEMBL8570088 | 0.83 | DHFR (0.58) | DHFRMTR | |
| SCHEMBL8567642 | 0.81 | DHFR (0.45) | DHFR | |
| SCHEMBL9001966 | 0.81 | DHFR (0.55) | DHFRMTR | |
| SCHEMBL8569142 | 0.81 | DHFR (0.59) | DHFRMTR | |
| SCHEMBL9001801 | 0.79 | DHFR (0.53) | DHFRMTRGARTATIC |
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 |