Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | PDE6D | O43924 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22958720 | 0.92 | KDM4E (0.34) | MAPK14KDM4EATML3MBTL1EDNRB | |
| SCHEMBL22958694 | 0.89 | CA12 (0.34) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL25636733 | 0.88 | L3MBTL1 (0.40) | KDM4EATML3MBTL1ALDH1A1EDNRB | |
| SCHEMBL22958708 | 0.86 | MCL1 (0.40) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL22958791 | 0.85 | KDM4E (0.37) | KDM4EATML3MBTL1EDNRBEDNRA | |
| SCHEMBL22958709 | 0.85 | CA12 (0.44) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL22958752 | 0.84 | EDNRB (0.36) | KDM4EATML3MBTL1EDNRBEDNRA | |
| SCHEMBL15470146 | 0.84 | KDM4E (0.37) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL22958668 | 0.84 | CA12 (0.40) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL22958671 | 0.84 | L3MBTL1 (0.38) | KDM4EATML3MBTL1ALDH1A1EDNRB |
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-20210043852-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2021-02-11 | — | — | US | disclosed |