Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CDC14B | O60729 | 1/20 | 0.33 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL26588182 | 0.96 | ALDH1A1 (0.38) | ALDH1A1HSD17B10L3MBTL1TSHRMAPK1 | |
| SCHEMBL26584850 | 0.96 | ALDH1A1 (0.38) | ALDH1A1HSD17B10L3MBTL1TSHRMAPK1 | |
| SCHEMBL26569554 | 0.95 | ALDH1A1 (0.37) | ALDH1A1HSD17B10L3MBTL1TSHRMAPK1 | |
| SCHEMBL24965030 | 0.95 | ALDH1A1 (0.38) | ALDH1A1HSD17B10L3MBTL1TSHRMAPK1 | |
| SCHEMBL26585462 | 0.94 | ALDH1A1 (0.36) | ALDH1A1HSD17B10L3MBTL1TSHRMAPK1 | |
| SCHEMBL26569361 | 0.92 | BACE1 (0.35) | ALDH1A1HSD17B10L3MBTL1TSHRMAPK1 | |
| SCHEMBL24965037 | 0.92 | KDM4E (0.36) | ALDH1A1HSD17B10L3MBTL1TSHRMAPK1 | |
| SCHEMBL26569445 | 0.91 | ALDH1A1 (0.36) | ALDH1A1HSD17B10L3MBTL1TSHRMAPK1 | |
| SCHEMBL23232896 | 0.91 | L3MBTL1 (0.41) | ALDH1A1HSD17B10L3MBTL1TSHRMAPK1 | |
| SCHEMBL26569836 | 0.90 | ALDH1A1 (0.35) | ALDH1A1HSD17B10L3MBTL1TSHRMAPK1 |
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-2023182323-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2023-09-28 | — | — | WO | disclosed |