Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23691175 | 0.99 | ALDH1A1 (0.40) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL19089905 | 0.97 | CA12 (0.37) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL19089825 | 0.97 | CA12 (0.37) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL19089886 | 0.93 | CA12 (0.37) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL19090019 | 0.92 | CA12 (0.39) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL21038195 | 0.90 | CHRNB4 (0.41) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL21038406 | 0.89 | SLC6A2 (0.40) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL21207221 | 0.89 | CA12 (0.35) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL21203528 | 0.89 | HSD17B1 (0.37) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL21203391 | 0.89 | CA12 (0.35) | CA12CA1CA2CA9ALDH1A1 |
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-2017116168-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT | 머티어리얼사이언스 주식회사 | 2017-07-06 | — | — | WO | disclosed |