Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | F2 | P00734 | 2/20 | 0.51 |
| ▸ | PLAU | P00749 | 2/20 | 0.51 |
| ▸ | ELANE | P08246 | 2/20 | 0.51 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22353120 | 0.82 | F2 (0.49) | TDP1F2PLAUELANEKLKB1 | |
| SCHEMBL1019778 | 0.81 | F2 (0.45) | TDP1F2PLAUELANEKLKB1 | |
| SCHEMBL28712258 | 0.81 | MEN1 (0.44) | TDP1F2PLAUELANEKLKB1 | |
| SCHEMBL28705422 | 0.77 | EGLN1 (0.50) | SMN1; SMN2MAPTNPC1RAB9APDE4B | |
| SCHEMBL28704298 | 0.77 | ELANE (0.47) | ELANEMAPTNPC1RAB9AKMT2A | |
| SCHEMBL28710160 | 0.77 | KMO (0.42) | NPC1RAB9APDE4BMEN1KMT2A | |
| SCHEMBL2381806 | 0.75 | F2 (0.66) | TDP1F2PLAUELANEKLKB1 | |
| SCHEMBL6738366 | 0.74 | TSHR (0.76) | TDP1SMN1; SMN2ALDH1A1MAPTNPC1 | |
| SCHEMBL28709782 | 0.73 | GRM5 (0.52) | IDO1 | |
| SCHEMBL29526232 | 0.73 | TSHR (0.67) | TDP1SMN1; SMN2NFE2L2ALDH1A1MAPT |
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-114057646-A | Pyrazole derivative and application thereof in preparation of antitumor drugs | 常州大学 | 2022-02-18 | — | — | CN | disclosed |