Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 8/20 | 0.37 |
| ▸ | PPARA | Q07869 | 8/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL804604 | 0.88 | CA12 (0.46) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL14490129 | 0.87 | CA12 (0.49) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL14341469 | 0.87 | CA12 (0.49) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL14490056 | 0.87 | CA12 (0.49) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL17690789 | 0.87 | CA12 (0.49) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL19562553 | 0.85 | HDAC8 (0.51) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL10135976 | 0.84 | CA12 (0.46) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL10136065 | 0.84 | CA12 (0.46) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL27354699 | 0.83 | CA12 (0.51) | HDAC8HDAC6CA12CA1CA2 | |
| SCHEMBL21168416 | 0.83 | CA12 (0.47) | HDAC8HDAC6CA12CA1CA2 |
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-2021045347-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2021-03-11 | — | — | WO | disclosed |