Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | BCL6 | P41182 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | BUB1 | O43683 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL29809067 | 1.00 | AURKA (0.39) | AURKAROCK1BCL6NPC1MAPT | |
| SCHEMBL29808847 | 0.89 | SLC2A1 (0.41) | AURKAROCK1BCL6NPC1MAPT | |
| SCHEMBL21163819 | 0.89 | SLC2A1 (0.41) | AURKAROCK1BCL6NPC1MAPT | |
| SCHEMBL21164017 | 0.86 | ROCK1 (0.45) | AURKAROCK1BCL6NPC1MAPT | |
| SCHEMBL29808756 | 0.86 | ROCK1 (0.45) | AURKAROCK1BCL6NPC1MAPT | |
| SCHEMBL21163839 | 0.84 | MEN1 (0.48) | AURKAROCK1NPC1MAPTMAPK1 | |
| SCHEMBL29808769 | 0.84 | MEN1 (0.48) | AURKAROCK1NPC1MAPTMAPK1 | |
| SCHEMBL21163838 | 0.83 | NTRK1 (0.44) | NPC1MAPTMAPK1RAB9AMEN1 | |
| SCHEMBL29808763 | 0.83 | NTRK1 (0.44) | NPC1MAPTMAPK1RAB9AMEN1 | |
| SCHEMBL21163559 | 0.81 | HRH4 (0.55) | AURKAROCK1BCL6NPC1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111065635-B | Novel pyrimidine derivatives as MTH1 inhibitors | 无锡安万生物科技有限公司 | 2022-07-22 | — | — | CN | claimed |
| WO-2019134082-A1 | NOVEL PYRIMIDINE DERIVATIVES AS MTH1 INHIBITORS | WUXI ADVANT BIOTECHNOLOGY CO., LTD. (CN) | 2019-07-11 | — | — | WO | disclosed |