Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL717218 | 0.86 | ALDH1A1 (0.41) | ALDH1A1MAPK1TDP1HSD17B10HPGD | |
| SCHEMBL29351292 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPK1TDP1HSD17B10HPGD | |
| SCHEMBL28676010 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPK1TDP1HSD17B10HPGD | |
| SCHEMBL29410298 | 0.74 | ALDH1A1 (0.74) | ALDH1A1MAPK1TDP1NPC1RAB9A | |
| SCHEMBL4825288 | 0.74 | ALDH1A1 (0.74) | ALDH1A1MAPK1TDP1NPC1RAB9A | |
| SCHEMBL20150633 | 0.74 | ALDH1A1 (0.53) | ALDH1A1MAPK1TDP1NPC1RAB9A | |
| SCHEMBL14865538 | 0.73 | ALDH1A1 (0.64) | ALDH1A1MAPK1TDP1NPC1RAB9A | |
| SCHEMBL15705955 | 0.72 | ALDH1A1 (0.79) | ALDH1A1MAPK1TDP1NPC1RAB9A | |
| Hydrogen Sulfide SCHEMBL27833170 | 0.72 | ALDH1A1 (0.70) | ALDH1A1MAPK1TDP1NPC1RAB9A | |
| SCHEMBL27908015 | 0.72 | ALDH1A1 (0.70) | ALDH1A1MAPK1TDP1NPC1RAB9A |
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 |