Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 11/20 | 0.44 |
| ▸ | GRK6 | P43250 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2789701 | 0.80 | CETP (0.42) | CETPGRK6CYP2A6PSMB8HDAC6 | |
| SCHEMBL16515861 | 0.80 | CETP (0.42) | CETPGRK6CYP2A6PSMB8HDAC6 | |
| SCHEMBL5229436 | 0.80 | PSMB8 (0.44) | CETPGRK6CYP2A6PSMB8MAPT | |
| SCHEMBL30358397 | 0.78 | GRK6 (0.42) | GRK6MGLLMAPTKDM4ENPC1 | |
| SCHEMBL30358394 | 0.77 | KDM4E (0.50) | GRK6MAPTKDM4ENPC1RAB9A | |
| SCHEMBL28318334 | 0.77 | KDM4E (0.50) | GRK6MAPTKDM4ENPC1RAB9A | |
| SCHEMBL30358387 | 0.77 | MEN1 (0.57) | GRK6PSMB8MAPTKDM4ENPC1 | |
| SCHEMBL30358390 | 0.77 | GRK6 (0.41) | GRK6CYP2A6MGLLMAPTKDM4E | |
| SCHEMBL103936 | 0.75 | GRK6 (0.40) | CETPGRK6CYP2A6PSMB8MAPT | |
| SCHEMBL28876443 | 0.75 | NPC1 (0.46) | GRK6MGLLMAPTKDM4ENPC1 |
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-110105300-B | Method for synthesizing 2-trifluoroethyl substituted benzoxazole compound | 福州大学 | 2023-04-14 | — | — | CN | disclosed |