Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.53 |
| ▸ | MTR | Q99707 | 1/20 | 0.52 |
| ▸ | ATIC | P31939 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8570088 | 0.92 | DHFR (0.58) | DHFRMTR | |
| SCHEMBL9001765 | 0.91 | DHFR (0.52) | DHFRMTRATIC | |
| SCHEMBL9001822 | 0.86 | DHFR (0.43) | DHFRMTRATIC | |
| SCHEMBL9001801 | 0.85 | DHFR (0.53) | DHFRMTRATIC | |
| SCHEMBL9001799 | 0.84 | DHFR (0.54) | DHFRMTRATIC | |
| SCHEMBL8569142 | 0.83 | DHFR (0.59) | DHFRMTR | |
| SCHEMBL9001764 | 0.79 | DHFR (0.42) | DHFRMTR | |
| SCHEMBL8603963 | 0.79 | DHFR (0.55) | DHFRMTR | |
| SCHEMBL9534949 | 0.78 | GART (0.58) | DHFRATIC | |
| SCHEMBL8567075 | 0.78 | DHFR (0.47) | DHFRMTR |
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 |