Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | PTPRF | P10586 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL668518 | 0.98 | BACE1 (0.39) | BACE1MAOAMAOBCFTRGOPC | |
| SCHEMBL6272816 | 0.94 | HSD17B3 (0.40) | BACE1MAOAMAOBCFTRGOPC | |
| Thianthrene SCHEMBL31297765 | 0.88 | BACE1 (0.36) | BACE1MAOAMAOBSIGMAR1SMN1; SMN2 | |
| SCHEMBL30648241 | 0.85 | KMO (0.42) | MAOASMN1; SMN2LMNAMAPTHTT | |
| SCHEMBL29362581 | 0.83 | PTPN1 (0.38) | BACE1PTPN1SMN1; SMN2PTPRCPTPRF | |
| SCHEMBL28610811 | 0.83 | PTPN1 (0.38) | BACE1PTPN1SMN1; SMN2PTPRCPTPRF | |
| SCHEMBL30381926 | 0.82 | PTPN1 (0.37) | BACE1PTPN1SMN1; SMN2PTPRCPTPRF | |
| SCHEMBL11666200 | 0.81 | — | — | |
| SCHEMBL9764763 | 0.78 | ESR1 (0.37) | BACE1PTPN1 | |
| SCHEMBL5848037 | 0.78 | — | — |
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-2022244864-A1 | MIXED POWDER, VAPOR DEPOSITION METHOD FOR ORGANIC COMPOUND, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR SELECTING ORGANIC COMPOUND, AND VAPOR DEPOSITION METHOD | 出光興産株式会社 | 2022-11-24 | — | — | WO | disclosed |