Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 8/20 | 0.55 |
| ▸ | MTR | Q99707 | 1/20 | 0.55 |
| ▸ | TYMS | P04818 | 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 | |
|---|---|---|---|---|
| SCHEMBL8565751 | 0.81 | DHFR (0.57) | DHFRMTR | |
| SCHEMBL8570088 | 0.81 | DHFR (0.58) | DHFRMTR | |
| SCHEMBL8571475 | 0.78 | DHFR (0.57) | DHFRMTR | |
| SCHEMBL8569142 | 0.77 | DHFR (0.59) | DHFRMTR | |
| SCHEMBL8571393 | 0.77 | ATIC (0.59) | DHFRMTR | |
| SCHEMBL1066004 | 0.77 | DHFR (0.59) | DHFRMTR | |
| SCHEMBL8603963 | 0.76 | DHFR (0.55) | DHFRMTR | |
| SCHEMBL9001907 | 0.75 | DHFR (0.53) | DHFRMTR | |
| SCHEMBL9001801 | 0.72 | DHFR (0.53) | DHFRMTRTYMS | |
| SCHEMBL8567075 | 0.72 | 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 1 patent. 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 |