Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.47 |
| ▸ | MTR | Q99707 | 3/20 | 0.47 |
| ▸ | GART | P22102 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8566521 | 0.93 | DHFR (0.46) | DHFRMTRGART | |
| SCHEMBL9001822 | 0.93 | DHFR (0.43) | DHFRMTRGART | |
| SCHEMBL8570088 | 0.85 | DHFR (0.58) | DHFRMTR | |
| SCHEMBL9001764 | 0.83 | DHFR (0.42) | DHFRMTRGART | |
| SCHEMBL8563180 | 0.82 | FOLR1 (0.51) | DHFRMTRGART | |
| SCHEMBL9439711 | 0.79 | GART (0.49) | DHFRGART | |
| SCHEMBL8569142 | 0.78 | DHFR (0.59) | DHFRMTR | |
| SCHEMBL9001907 | 0.78 | DHFR (0.53) | DHFRMTR | |
| SCHEMBL8571475 | 0.76 | DHFR (0.57) | DHFRMTRGART | |
| SCHEMBL9001752 | 0.76 | GART (0.53) | GART |
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 |
|---|---|---|---|---|---|---|---|
| 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 |