Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2405257 | 0.93 | CCR5 (0.62) | CCR5SIGMAR1PTGDR2EPHX2SMN1; SMN2 | |
| SCHEMBL11394433 | 0.86 | SIGMAR1 (0.64) | CCR5SIGMAR1PTGDR2EPHX2SMN1; SMN2 | |
| SCHEMBL5860907 | 0.84 | CCR5 (0.56) | CCR5SIGMAR1PTGDR2EPHX2SMN1; SMN2 | |
| SCHEMBL31473535 | 0.84 | HTR2A (0.48) | CCR5SMN1; SMN2 | |
| SCHEMBL31473515 | 0.79 | HTR2A (0.47) | CCR5SIGMAR1SMN1; SMN2 | |
| SCHEMBL24494256 | 0.79 | DPP4 (0.52) | — | |
| SCHEMBL2406118 | 0.79 | CCR5 (0.61) | CCR5SIGMAR1PTGDR2ALDH1A1 | |
| SCHEMBL5862792 | 0.77 | KCNH2 (0.72) | CCR5SIGMAR1 | |
| SCHEMBL2404203 | 0.77 | CCR5 (0.65) | CCR5SIGMAR1EPHX2 | |
| SCHEMBL8987850 | 0.77 | CCR5 (0.54) | CCR5SIGMAR1PTGDR2EPHX2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025061176-A1 | CYCLOALKANE-SUBSTITUTED AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海科技大学 | 2025-03-27 | — | — | WO | disclosed |
| CN-119661404-A | Cycloalkane substituted amine derivative, preparation method and application thereof | 上海科技大学 | 2025-03-21 | — | — | CN | disclosed |