Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28900412 | 0.90 | CES2 (0.50) | ALDH1A1CES2CES1KDM4EHPGD | |
| SCHEMBL7697401 | 0.83 | ALDH1A1 (0.62) | ALDH1A1NPSR1CES2CES1PKM | |
| SCHEMBL28452344 | 0.82 | ALDH1A1 (0.50) | ALDH1A1NPSR1CES2CES1KDM4E | |
| SCHEMBL5696563 | 0.78 | POLB (0.61) | ALDH1A1NPSR1CES2CES1PKM | |
| SCHEMBL19435691 | 0.77 | MGLL (0.49) | ALDH1A1KDM4ECRHBPCRHR2GAA | |
| SCHEMBL3947433 | 0.77 | NAAA (0.61) | ALDH1A1CES2CES1PKMGAA | |
| SCHEMBL21615871 | 0.77 | NAAA (0.61) | ALDH1A1CES2CES1PKMGAA | |
| SCHEMBL1343140 | 0.77 | NAAA (0.61) | ALDH1A1CES2CES1PKMGAA | |
| SCHEMBL30595271 | 0.75 | TDP1 (0.51) | ALDH1A1TDP1GAAMEN1KMT2A | |
| SCHEMBL6467417 | 0.75 | MEN1 (0.67) | ALDH1A1NPSR1KDM4ETDP1CRHBP |
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-111747904-A | Polyfluoroalkenyl substituted oxazole compound and preparation method thereof | 南京工业大学 | 2020-10-09 | — | — | CN | claimed |
| CN-111747904-A | Polyfluoroalkenyl substituted oxazole compound and preparation method thereof | 南京工业大学 | 2020-10-09 | — | — | CN | disclosed |