Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.70 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.44 |
| ▸ | GSK3B | P49841 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSSK1B | Q9BXA7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27685854 | 0.89 | PDPK1 (0.87) | PDPK1CES2NPC1RAB9ALMNA | |
| SCHEMBL6851984 | 0.89 | PDPK1 (0.59) | PDPK1GSK3BTSHRCES2CES1 | |
| SCHEMBL6659783 | 0.87 | PDPK1 (0.57) | PDPK1GSK3BCES2CES1RAB9A | |
| SCHEMBL7768899 | 0.87 | PDPK1 (0.57) | PDPK1GSK3BTP53CES2CES1 | |
| SCHEMBL14369396 | 0.87 | PDPK1 (0.57) | PDPK1PDK1NPC1GAARAB9A | |
| SCHEMBL24188 | 0.86 | TDP1 (0.56) | PDPK1GSK3BTSHRCES2CES1 | |
| Methyl Alcohol SCHEMBL28958779 | 0.85 | PDPK1 (0.55) | PDPK1GSK3BTP53CES2CES1 | |
| SCHEMBL11287856 | 0.84 | TDP1 (0.54) | PDPK1GSK3BTSHRCES2CES1 | |
| Water SCHEMBL27597000 | 0.84 | TDP1 (0.54) | PDPK1GSK3BTSHRCES2CES1 | |
| Hydrochloric Acid SCHEMBL27977560 | 0.84 | TDP1 (0.54) | PDPK1GSK3BTSHRCES2CES1 |
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-118894990-A | Poly (alpha-ketoselenoamide) compound and preparation method and application thereof | 华南理工大学 | 2024-11-05 | — | — | CN | disclosed |