Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CHRND | Q07001 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22958674 | 0.89 | CA12 (0.36) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL22958668 | 0.89 | CA12 (0.40) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL22958708 | 0.89 | MCL1 (0.40) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL22958709 | 0.87 | CA12 (0.44) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL22958652 | 0.86 | CA12 (0.38) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL22958698 | 0.86 | CA12 (0.45) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL22958744 | 0.86 | GPR84 (0.37) | CA12CA1CA2CA9GPR84 | |
| SCHEMBL22958772 | 0.85 | MCL1 (0.38) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL22958701 | 0.84 | CA12 (0.44) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL22958773 | 0.83 | CA12 (0.34) | CA12CA1CA2CA9MCL1 |
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 |