Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20759673 | 0.91 | MEN1 (0.38) | PAX8MEN1KMT2AAKT1RAB9A | |
| SCHEMBL731186 | 0.73 | ITGA4 (0.38) | PAX8MEN1KMT2AL3MBTL1CYP3A4 | |
| SCHEMBL28905185 | 0.73 | GBA1 (0.39) | PAX8F2MEN1KMT2ARAB9A | |
| SCHEMBL28506622 | 0.72 | NPSR1 (0.39) | PAX8MEN1KMT2ARAB9ANPSR1 | |
| SCHEMBL504005 | 0.70 | L3MBTL1 (0.55) | MEN1KMT2AAKT1RAB9ANPSR1 | |
| SCHEMBL8736767 | 0.70 | MEN1 (0.43) | PAX8MEN1KMT2AAKT1RAB9A | |
| SCHEMBL3799516 | 0.70 | L3MBTL1 (0.36) | MEN1KMT2ARAB9ANPSR1L3MBTL1 | |
| SCHEMBL23113822 | 0.70 | MEN1 (0.45) | F2MEN1KMT2AL3MBTL1CYP3A4 | |
| SCHEMBL29903353 | 0.69 | CHRM4 (0.36) | MEN1KMT2ARAB9ANPSR1CTSL | |
| SCHEMBL7200107 | 0.69 | RAB9A (0.57) | PAX8MEN1KMT2ARAB9ANPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115043788-A | Trifluoromethyl oxazole-2-ketone compound and preparation method and application thereof | 南京工业大学 | 2022-09-13 | — | — | CN | claimed |
| CN-115043788-B | Trifluoromethyl oxazol-2-one compound and preparation method and application thereof | 南京工业大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-115043788-A | Trifluoromethyl oxazole-2-ketone compound and preparation method and application thereof | 南京工业大学 | 2022-09-13 | — | — | CN | disclosed |