Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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) | DHFR | |
| SCHEMBL8565167 | 0.78 | MTR (0.35) | DHFRKMT2AALDH1A1HSD17B10POLB | |
| SCHEMBL8569146 | 0.76 | ACHE (0.40) | PKMKMT2AMEN1ALDH1A1POLB | |
| SCHEMBL8566814 | 0.70 | FOLR1 (0.39) | DHFR | |
| SCHEMBL833819 | 0.69 | PKM (0.61) | PKMMAPK1TSHRKMT2ATP53 | |
| SCHEMBL20740677 | 0.68 | DHFR (0.69) | DHFRPKMTSHRTP53PLA2G4B | |
| SCHEMBL7316232 | 0.66 | NFE2L2 (0.62) | PKMMAPK1TSHRKMT2ATP53 | |
| SCHEMBL31155811 | 0.65 | DHFR (0.91) | DHFRTSHRTP53PLA2G4B | |
| SCHEMBL196110 | 0.65 | PKM (0.88) | PKMMAPK1TSHRTP53PLA2G4B | |
| SCHEMBL4946581 | 0.64 | PKM (0.57) | PKMMAPK1TSHRKMT2ATP53 |
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 |