Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | FABP7 | O15540 | 1/20 | 0.35 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3800244 | 0.82 | CYP2A6 (0.41) | ALDH1A1HSD17B10CA12CA1CA2 | |
| SCHEMBL396202 | 0.81 | ADRA2C (0.59) | ALDH1A1HSD17B10L3MBTL1ADRA2CIDO1 | |
| SCHEMBL5162068 | 0.80 | ALDH1A1 (0.71) | ALDH1A1HSD17B10L3MBTL1DHFRADORA3 | |
| SCHEMBL11305092 | 0.79 | CYP2A6 (0.54) | CA12CA1CA2CA9CA14 | |
| SCHEMBL29429038 | 0.79 | ALDH1A1 (0.58) | ALDH1A1HSD17B10L3MBTL1CA12CA1 | |
| SCHEMBL4630043 | 0.79 | ALDH1A1 (0.58) | ALDH1A1HSD17B10L3MBTL1CA12CA1 | |
| SCHEMBL11364558 | 0.78 | GABRA5 (0.44) | CA12CA1CA2CA9CA14 | |
| SCHEMBL5345150 | 0.78 | HPGD (0.52) | ALDH1A1HSD17B10CA12CA1CA2 | |
| SCHEMBL3841296 | 0.77 | CA12 (0.48) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3780798 | 0.76 | MCL1 (0.43) | ALDH1A1HSD17B10L3MBTL1CA12CA1 |
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-114057623-A | N-naphthyl indole derivative and synthetic method thereof | 湖南第一师范学院 | 2022-02-18 | — | — | CN | disclosed |