Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PGD | P52209 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL5484358 | 0.75 | PDE4A (0.44) | TSHRPDE4APGDOR51E2CYP2C9 | |
| SCHEMBL4274595 | 0.74 | CTSK (0.38) | TSHRMEN1KMT2A | |
| SCHEMBL28655193 | 0.74 | CTSK (0.38) | TSHRMEN1KMT2A | |
| SCHEMBL7050623 | 0.73 | CA2 (0.52) | SLC1A2TSHR | |
| SCHEMBL26138093 | 0.73 | GPR84 (0.50) | TSHRPDE4APGDOR51E2CYP2C9 | |
| SCHEMBL3299289 | 0.73 | PDE4A (0.43) | TSHRPDE4APGDOR51E2CYP2C9 | |
| SCHEMBL26138070 | 0.73 | TET2 (0.46) | TSHR | |
| SCHEMBL28468801 | 0.73 | TSHR (0.41) | TSHRPDE4APGDCYP2C9 | |
| SCHEMBL7080439 | 0.71 | GPR84 (0.59) | SLC1A2 | |
| SCHEMBL9297279 | 0.71 | PDE4A (0.41) | TSHRPDE4APGDMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112899246-A | Aldehyde ketone reductase KmAKR mutant and application thereof in catalytic synthesis of chiral alcohol | 浙江工业大学 | 2021-06-04 | — | — | CN | disclosed |
| CN-109055327-B | Aldehyde ketone reductase mutant and application thereof | 浙江工业大学 | 2021-04-06 | — | — | CN | disclosed |