Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.49 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.49 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.49 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 2/20 | 0.49 |
| ▸ | PTH1R | Q03431 | 2/20 | 0.46 |
| ▸ | ENPEP | Q07075 | 5/20 | 0.45 |
| ▸ | TASP1 | Q9H6P5 | 1/20 | 0.44 |
| ▸ | TLR2 | O60603 | 3/20 | 0.43 |
| ▸ | VIPR1 | P32241 | 1/20 | 0.43 |
| ▸ | VIPR2 | P41587 | 1/20 | 0.43 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31554818 | 0.94 | GRIN2D (0.53) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL31554824 | 0.93 | GRIN2D (0.48) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL31554823 | 0.92 | GRIN2D (0.57) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL31554822 | 0.91 | GRIN2D (0.51) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL31514347 | 0.91 | GRIN2D (0.59) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL31554819 | 0.88 | VIPR2 (0.51) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL31554826 | 0.87 | GRIN2D (0.52) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL30599009 | 0.86 | PTH1R (0.55) | BACE1PTH1RVIPR1VIPR2 | |
| SCHEMBL29466783 | 0.86 | FOLH1 (0.44) | BACE1 | |
| SCHEMBL30512767 | 0.85 | BACE1 (0.53) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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-2025094953-A1 | ESTIMATION SYSTEM, METHOD FOR ESTIMATING MOLECULAR CONFORMATION, AND ESTIMATION PROGRAM | 中外製薬株式会社 | 2025-05-08 | — | — | WO | disclosed |