Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTR | Q99707 | 7/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8562117 | 0.94 | MTR (0.44) | MTRDHFRSIRT2SIRT1 | |
| SCHEMBL9617435 | 0.84 | DHFR (0.40) | MTRDHFRSIRT2SIRT1 | |
| SCHEMBL9446094 | 0.83 | — | — | |
| SCHEMBL8997437 | 0.82 | DHFR (0.44) | DHFRSIRT2SIRT1 | |
| SCHEMBL8571693 | 0.82 | MTR (0.34) | MTRSIRT2SIRT1 | |
| SCHEMBL9446064 | 0.79 | MTR (0.36) | MTR | |
| SCHEMBL8566937 | 0.78 | MTR (0.44) | MTRDHFR | |
| SCHEMBL9001819 | 0.78 | ATIC (0.37) | MTRSIRT2SIRT1 | |
| SCHEMBL8997208 | 0.76 | DHFR (0.38) | DHFRSIRT2SIRT1 | |
| SCHEMBL1066004 | 0.73 | DHFR (0.59) | MTRDHFR |
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 |