Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23819378 | 0.99 | ALDH1A1 (0.39) | ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10 | |
| SCHEMBL24523593 | 0.95 | ALDH1A1 (0.39) | ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10 | |
| SCHEMBL26867990 | 0.95 | ALDH1A1 (0.40) | ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10 | |
| SCHEMBL23820117 | 0.95 | ALDH1A1 (0.42) | ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10 | |
| SCHEMBL23822268 | 0.95 | ALDH1A1 (0.42) | ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10 | |
| SCHEMBL23821723 | 0.95 | ALDH1A1 (0.42) | ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10 | |
| SCHEMBL24657885 | 0.95 | ALDH1A1 (0.42) | ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10 | |
| SCHEMBL23819602 | 0.95 | ALDH1A1 (0.42) | ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10 | |
| SCHEMBL23819385 | 0.95 | ALDH1A1 (0.42) | ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10 | |
| SCHEMBL23819574 | 0.95 | ALDH1A1 (0.42) | ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021182833-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2021-09-16 | — | — | WO | disclosed |