Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 2/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.49 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.49 |
| ▸ | CDC25B | P30305 | 1/20 | 0.47 |
| ▸ | BCL2 | P10415 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | BAD | Q92934 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | FNTA | P49354 | 1/20 | 0.44 |
| ▸ | FNTB | P49356 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8398501 | 0.92 | NR4A1 (0.53) | NR4A1NR4A2NR4A3CDC25BBCL2 | |
| SCHEMBL27716366 | 0.88 | CDC25B (0.56) | SOS1NR4A1NR4A2NR4A3CDC25B | |
| SCHEMBL7905161 | 0.88 | CDC25B (0.56) | SOS1NR4A1NR4A2NR4A3CDC25B | |
| SCHEMBL28459499 | 0.85 | SOS1 (0.65) | SOS1NR4A1NR4A2NR4A3CDC25B | |
| SCHEMBL28073532 | 0.81 | NPC1 (0.49) | SOS1NR4A1NR4A2NR4A3CDC25B | |
| SCHEMBL29522736 | 0.81 | CDC25B (0.69) | NR4A1NR4A2NR4A3CDC25BBCL2 | |
| SCHEMBL1420869 | 0.81 | CDC25B (0.58) | NR4A1NR4A2NR4A3CDC25BMCL1 | |
| SCHEMBL547632 | 0.81 | CDC25B (0.69) | NR4A1NR4A2NR4A3CDC25BBCL2 | |
| SCHEMBL28766762 | 0.81 | NR4A1 (0.49) | NR4A1NR4A2NR4A3CDC25BBCL2 | |
| SCHEMBL934811 | 0.80 | AKR1C3 (0.67) | NR4A1CDC25BAKR1C3CYP2C9CYP2C8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |