Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16115423 | 0.86 | ALDH1A1 (0.41) | ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL30332661 | 0.86 | ALDH1A1 (0.41) | ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL13295272 | 0.82 | ALDH1A1 (0.33) | ALDH1A1MAPK1RAB9ANPC1HPGD | |
| SCHEMBL16115916 | 0.82 | ALDH1A1 (0.39) | ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL13295284 | 0.82 | ALDH1A1 (0.39) | ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL9319707 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MAPK1RAB9ANPC1TDP1 | |
| SCHEMBL3889982 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MAPK1RAB9ANPC1TDP1 | |
| SCHEMBL17097374 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL3898153 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPK1RAB9ANPC1TDP1 | |
| SCHEMBL23532341 | 0.78 | ALDH1A1 (0.39) | ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1 |
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-108676150-B | Porous aromatic framework material constructed by utilizing secondary structure base block | 长春市力诚必成新药科技开发有限责任公司 | 2021-01-19 | — | — | CN | disclosed |