Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 6/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29919659 | 1.00 | CYP2A6 (0.47) | CYP2A6ALDH1A1TLR8TSHRHTR1B | |
| SCHEMBL2314941 | 0.94 | ALDH1A1 (0.47) | CYP2A6ALDH1A1TLR8TSHRHTR1B | |
| SCHEMBL29862266 | 0.94 | CYP2A6 (0.46) | CYP2A6ALDH1A1TLR8TSHRHTR1B | |
| SCHEMBL8956192 | 0.89 | ALOX5 (0.44) | CYP2A6ALDH1A1TSHRCA12CA1 | |
| SCHEMBL3628798 | 0.85 | CYP2A6 (0.38) | CYP2A6ALDH1A1TLR8TSHRHTR1B | |
| SCHEMBL27875797 | 0.85 | MAPT (0.42) | CYP2A6ALDH1A1TLR8TSHRHTR1B | |
| SCHEMBL2256317 | 0.83 | CYP2A6 (0.37) | CYP2A6ALDH1A1TLR8TSHRHTR1B | |
| SCHEMBL3819696 | 0.83 | MTNR1A (0.51) | HTR1BCA12CA1CA9HTR1D | |
| SCHEMBL7834554 | 0.83 | CYP1A2 (0.53) | CYP2A6ALDH1A1TSHRHTR1BADORA3 | |
| SCHEMBL3819303 | 0.83 | CYP2D6 (0.46) | CYP2A6ALDH1A1TSHRHTR1BL3MBTL1 |
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-117024912-A | High-pressure-bearing epoxy resin plugging material and oil-based drilling fluid | 西南石油大学 | 2023-11-10 | — | — | CN | claimed |