Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTR | Q99707 | 7/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8567466 | 0.93 | MTR (0.41) | MTRDHFRPOLBMAPTKMT2A | |
| SCHEMBL8569124 | 0.83 | DHFR (0.37) | MTRDHFRPOLBMAPTKMT2A | |
| SCHEMBL8567642 | 0.83 | DHFR (0.45) | DHFRPOLBMAPTKMT2AATM | |
| SCHEMBL8566885 | 0.81 | MTR (0.39) | MTRDHFRPOLBMAPTKMT2A | |
| SCHEMBL9001771 | 0.81 | ATIC (0.41) | — | |
| SCHEMBL7742870 | 0.80 | DHFR (0.38) | DHFRPOLBMAPTKMT2AATM | |
| SCHEMBL8569146 | 0.79 | ACHE (0.40) | POLBMAPTKMT2AALDH1A1 | |
| SCHEMBL8569916 | 0.78 | MTR (0.41) | MTRDHFR | |
| SCHEMBL9446044 | 0.75 | — | — | |
| SCHEMBL8566814 | 0.74 | FOLR1 (0.39) | 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 |