Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.35 |
| ▸ | RELA | Q04206 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 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 | |
|---|---|---|---|---|
| SCHEMBL30332661 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MAPK1RAB9ANFKB1NFKB2 | |
| SCHEMBL16115423 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MAPK1RAB9ANFKB1NFKB2 | |
| SCHEMBL31175994 | 0.78 | ALDH1A1 (0.37) | ALDH1A1MAPK1RAB9AMAPTHSD17B10 | |
| SCHEMBL28056025 | 0.78 | ALDH1A1 (0.35) | ALDH1A1MAPK1RAB9ANFKB1NFKB2 | |
| SCHEMBL16115916 | 0.78 | ALDH1A1 (0.39) | ALDH1A1MAPK1RAB9ANFKB1NFKB2 | |
| SCHEMBL3889982 | 0.77 | ALDH1A1 (0.41) | ALDH1A1MAPK1RAB9AHSD17B10HPGD | |
| SCHEMBL9319707 | 0.77 | ALDH1A1 (0.41) | ALDH1A1MAPK1RAB9AHSD17B10HPGD | |
| SCHEMBL31591138 | 0.77 | ALDH1A1 (0.36) | ALDH1A1MAPK1RAB9AMAPTHSD17B10 | |
| SCHEMBL28528140 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPK1RAB9ANFKB1NFKB2 | |
| SCHEMBL429933 | 0.76 | ALDH1A1 (0.62) | ALDH1A1MAPK1HSD17B10HPGDBCL2L1 |
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-115043859-A | Organic electroluminescent material and device | 环球展览公司 | 2022-09-13 | — | — | CN | disclosed |