Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25621491 | 0.98 | ALDH1A1 (0.47) | ALDH1A1MAPTSMN1; SMN2HSD17B10HPGD | |
| SCHEMBL25621701 | 0.97 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2HSD17B10HPGD | |
| SCHEMBL23633620 | 0.97 | ALDH1A1 (0.50) | ALDH1A1MAPTSMN1; SMN2HSD17B10HPGD | |
| SCHEMBL25668531 | 0.95 | ALDH1A1 (0.49) | ALDH1A1MAPTSMN1; SMN2HSD17B10HPGD | |
| SCHEMBL18965465 | 0.95 | ALDH1A1 (0.49) | ALDH1A1MAPTSMN1; SMN2HSD17B10HPGD | |
| SCHEMBL25668558 | 0.94 | ALDH1A1 (0.43) | ALDH1A1MAPTSMN1; SMN2HSD17B10HPGD | |
| SCHEMBL24306477 | 0.94 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2HSD17B10HPGD | |
| SCHEMBL25621743 | 0.94 | ALDH1A1 (0.42) | ALDH1A1MAPTSMN1; SMN2HSD17B10HPGD | |
| SCHEMBL17655975 | 0.94 | CA12 (0.50) | ALDH1A1MAPTSMN1; SMN2HSD17B10HPGD | |
| SCHEMBL23633614 | 0.94 | ALDH1A1 (0.48) | ALDH1A1MAPTSMN1; SMN2HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-20220123223-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2022-04-21 | — | — | US | disclosed |