Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29128452 | 0.88 | CYP2D6 (0.35) | CYP2D6L3MBTL1MAPTNPSR1ADRB2 | |
| SCHEMBL29128408 | 0.82 | L3MBTL1 (0.40) | L3MBTL1MAPTNPSR1POLBNISCH | |
| SCHEMBL29128357 | 0.81 | SOD1 (0.36) | MAPTPOLBTP53NPC1 | |
| SCHEMBL29126006 | 0.80 | TSHR (0.47) | CYP2D6L3MBTL1MAPTNPSR1ADRB2 | |
| SCHEMBL29125709 | 0.77 | TSHR (0.36) | CYP2D6L3MBTL1MAPTNPSR1ADRB2 | |
| SCHEMBL29128168 | 0.72 | POLB (0.32) | POLB | |
| SCHEMBL29128230 | 0.69 | L3MBTL1 (0.39) | CYP2D6L3MBTL1MAPTNPSR1NISCH | |
| SCHEMBL29128480 | 0.68 | USP2 (0.31) | L3MBTL1POLB | |
| SCHEMBL29128584 | 0.68 | USP2 (0.36) | L3MBTL1MAPTHSD17B10CYP1A2 | |
| SCHEMBL29128511 | 0.68 | MAPK1 (0.32) | — |
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-117263862-A | Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof | 吉首大学 | 2023-12-22 | — | — | CN | disclosed |