Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VIPR2 | P41587 | 6/20 | 0.46 |
| ▸ | VIPR1 | P32241 | 4/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.45 |
| ▸ | F2 | P00734 | 2/20 | 0.45 |
| ▸ | CALCR | P30988 | 4/20 | 0.44 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.44 |
| ▸ | NTSR2 | O95665 | 1/20 | 0.44 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.44 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31548691 | 0.88 | GLP1R (0.48) | CALCRCRHR1CRHR2 | |
| SCHEMBL31554818 | 0.88 | GRIN2D (0.53) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL31612227 | 0.88 | VIPR2 (0.52) | VIPR2VIPR1 | |
| SCHEMBL31066782 | 0.87 | BACE1 (0.48) | VIPR2VIPR1F2CALCRCRHR1 | |
| SCHEMBL30240002 | 0.87 | ENPEP (0.43) | VIPR2VIPR1F2NTSR2NTSR1 | |
| SCHEMBL31554823 | 0.85 | GRIN2D (0.57) | VIPR2VIPR1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL30432020 | 0.85 | VIPR2 (0.54) | VIPR2VIPR1CALCRCRHR1CRHR2 | |
| SCHEMBL31573970 | 0.85 | BACE1 (0.49) | — | |
| SCHEMBL30165219 | 0.85 | GRIN2D (0.45) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL30432541 | 0.85 | GLP1R (0.52) | VIPR1CALCRCRHR1CRHR2 |
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 |