Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | CCKBR | P32239 | 3/20 | 0.30 |
| ▸ | CCKAR | P32238 | 2/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL29520737 | 0.77 | IDO1 (0.40) | — | |
| SCHEMBL29520778 | 0.77 | CHRM1 (0.37) | HSD11B1 | |
| SCHEMBL29520664 | 0.76 | CHRM1 (0.39) | — | |
| SCHEMBL29520739 | 0.75 | CNR1 (0.34) | CCKBR | |
| SCHEMBL29520620 | 0.75 | CNR1 (0.38) | — | |
| SCHEMBL29409248 | 0.73 | NPC1 (0.36) | CCKBR | |
| SCHEMBL29520545 | 0.72 | MAPT (0.42) | — | |
| SCHEMBL29520721 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL29521036 | 0.71 | CYP2C9 (0.36) | — | |
| SCHEMBL29520576 | 0.71 | IDO1 (0.31) | — |
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-112174901-B | Synthesis method and anticancer activity of 1, 3-benzodiazepine compound | 河南师范大学 | 2022-02-08 | — | — | CN | disclosed |