Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23224907 | 0.99 | MCL1 (0.43) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL23239018 | 0.96 | MCL1 (0.41) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL23238246 | 0.96 | CA12 (0.43) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL23224912 | 0.96 | MCL1 (0.44) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL24918475 | 0.95 | MCL1 (0.44) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL23224910 | 0.95 | MCL1 (0.43) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL24815017 | 0.95 | MCL1 (0.43) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL24918435 | 0.95 | MCL1 (0.43) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL24816140 | 0.95 | MCL1 (0.43) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL23237715 | 0.93 | MCL1 (0.43) | MCL1ACMSDCA12CA1CA2 |
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-2021070965-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2021-04-15 | — | — | WO | disclosed |