Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 7/20 | 0.34 |
| ▸ | PPARA | Q07869 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27308042 | 0.99 | MCL1 (0.36) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL27308648 | 0.98 | CA12 (0.38) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL27307785 | 0.96 | CA12 (0.37) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL27307636 | 0.95 | KDM4E (0.36) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL27308041 | 0.94 | MCL1 (0.34) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL27307494 | 0.94 | PLA2G2A (0.33) | ALDH1A1MAPTKDM4EHPGDTSHR | |
| SCHEMBL27308150 | 0.94 | MCL1 (0.36) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL27308650 | 0.94 | CA12 (0.36) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL27308765 | 0.94 | KDM4E (0.37) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL27308143 | 0.93 | MCL1 (0.38) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2023199832-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2023-10-19 | — | — | WO | disclosed |