Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATIC | P31939 | 10/20 | 0.52 |
| ▸ | SHMT1 | P34896 | 10/20 | 0.52 |
| ▸ | SHMT2 | P34897 | 10/20 | 0.52 |
| ▸ | GART | P22102 | 9/20 | 0.51 |
| ▸ | DHFR | P00374 | 5/20 | 0.44 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8570214 | 1.00 | ATIC (0.52) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8565081 | 0.92 | ATIC (0.55) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8565091 | 0.92 | ATIC (0.55) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8568568 | 0.87 | DHFR (0.53) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8568574 | 0.87 | DHFR (0.53) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL9001860 | 0.85 | ATIC (0.71) | ATICSHMT1SHMT2GARTFOLR1 | |
| SCHEMBL8563490 | 0.85 | DHFR (0.47) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8563472 | 0.85 | DHFR (0.47) | ATICSHMT1SHMT2GARTDHFR | |
| SCHEMBL8569343 | 0.84 | ATIC (0.67) | ATICSHMT1SHMT2GARTFOLR1 | |
| SCHEMBL8569348 | 0.84 | ATIC (0.67) | ATICSHMT1SHMT2GARTFOLR1 |
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 |