Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 4/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | STING1 | Q86WV6 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL838201 | 0.88 | SLC6A4 (0.45) | SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1 | |
| SCHEMBL29457607 | 0.88 | SLC6A4 (0.45) | SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1 | |
| SCHEMBL11468178 | 0.85 | SLC6A4 (0.50) | SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1 | |
| SCHEMBL18742609 | 0.85 | SLC6A4 (0.46) | SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1 | |
| SCHEMBL8184370 | 0.83 | SLC6A4 (0.53) | SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1 | |
| SCHEMBL6962020 | 0.81 | HTR2C (0.40) | SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1 | |
| SCHEMBL28689514 | 0.80 | SCD (0.40) | CYP2A13OPRM1 | |
| SCHEMBL11093050 | 0.79 | SLC6A3 (0.39) | SLC6A4SLC6A3OPRM1SLC6A2ALDH1A1 | |
| SCHEMBL625403 | 0.76 | OPRM1 (0.58) | OPRM1ALDH1A1 | |
| SCHEMBL5647105 | 0.75 | HDAC6 (0.37) | SLC6A4SLC6A3OPRM1P2RX7 |
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-113979977-A | Hexa-membered oxygen heterocyclic compound and synthetic method thereof | 上海麦克林生化科技有限公司 | 2022-01-28 | — | — | CN | disclosed |