Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8572863 | 0.82 | DHFR (0.37) | DHFRANPEPTLR7TLR8POLB | |
| SCHEMBL8563902 | 0.71 | TLR7 (0.50) | DHFRTLR7POLBMAPTKMT2A | |
| SCHEMBL8564668 | 0.70 | ATIC (0.48) | TLR7MAPTKMT2AALDH1A1 | |
| SCHEMBL8570466 | 0.69 | DHFR (0.39) | DHFRANPEPTLR7POLBMAPT | |
| SCHEMBL8564762 | 0.69 | SLC2A1 (0.34) | DHFRTLR7MAPTKMT2AALDH1A1 | |
| SCHEMBL8564667 | 0.67 | DHFR (0.38) | DHFRTLR7POLBMAPTKMT2A | |
| SCHEMBL251733 | 0.63 | ANPEP (0.62) | ANPEPENPEPALDH1A1 | |
| SCHEMBL2439514 | 0.63 | ANPEP (0.62) | ANPEPENPEPALDH1A1 | |
| SCHEMBL5183224 | 0.63 | ANPEP (0.62) | ANPEPENPEPALDH1A1 | |
| SCHEMBL452233 | 0.62 | PTGS1 (0.60) | ANPEPENPEPKMT2AALDH1A1ACACB |
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 |