Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.39 |
| ▸ | PPOX | P50336 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | VHL | P40337 | 1/20 | 0.31 |
| ▸ | ELOC | Q15369 | 1/20 | 0.31 |
| ▸ | ELOB | Q15370 | 1/20 | 0.31 |
| ▸ | F7 | P08709 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | F3 | P13726 | 1/20 | 0.31 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29156470 | 0.83 | S100A4 (0.40) | S100A4PPOXMETAP1CYP19A1HSP90AA1 | |
| SCHEMBL29156478 | 0.81 | S100A4 (0.39) | S100A4PPOXMETAP1CYP19A1HSP90AA1 | |
| SCHEMBL29156621 | 0.81 | ACHE (0.38) | METAP1CYP19A1MAOBPARP1PARP10 | |
| SCHEMBL29156448 | 0.80 | KMT2A (0.39) | S100A4HTR2BRAB9A | |
| SCHEMBL31199232 | 0.80 | S100A4 (0.52) | S100A4PPOXMETAP1CYP19A1HSP90AA1 | |
| SCHEMBL29156490 | 0.78 | S100A4 (0.36) | S100A4PPOXMETAP1DRD2HTR2A | |
| SCHEMBL31199223 | 0.74 | SIRT2 (0.36) | S100A4METAP1MAOB | |
| SCHEMBL31199227 | 0.73 | S100A4 (0.47) | S100A4PPOXMETAP1CYP19A1HSP90AA1 | |
| SCHEMBL9164065 | 0.73 | S100A4 (0.47) | S100A4PPOXMETAP1CYP19A1HSP90AA1 | |
| SCHEMBL30229861 | 0.73 | S100A4 (0.37) | S100A4PPOXMETAP1CYP19A1HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117581407-A | Nonaqueous electrolyte containing anthraquinone compound and secondary battery comprising same | 爱沃特高能化工株式会社 | 2024-02-20 | — | — | CN | disclosed |