Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 9/20 | 0.61 |
| ▸ | CCR5 | P51681 | 9/20 | 0.61 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PREP | P48147 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12156511 | 1.00 | CCR2 (0.61) | CCR2CCR5CASP3ALDH1A1GAA | |
| SCHEMBL13600778 | 1.00 | CCR2 (0.61) | CCR2CCR5CASP3ALDH1A1GAA | |
| SCHEMBL3252366 | 0.94 | CCR2 (0.53) | CCR2CCR5CASP3ALDH1A1GAA | |
| SCHEMBL3440814 | 0.94 | CCR2 (0.53) | CCR2CCR5CASP3ALDH1A1GAA | |
| SCHEMBL2785645 | 0.90 | CCR2 (0.49) | CCR2CCR5CASP3ALDH1A1GAA | |
| SCHEMBL2785651 | 0.90 | CCR2 (0.49) | CCR2CCR5CASP3ALDH1A1GAA | |
| SCHEMBL3746876 | 0.86 | CPB1 (0.48) | CCR2CCR5CASP3ALDH1A1GAA | |
| SCHEMBL3738254 | 0.86 | CPB1 (0.48) | CCR2CCR5CASP3ALDH1A1GAA | |
| SCHEMBL3746880 | 0.86 | CPB1 (0.48) | CCR2CCR5CASP3ALDH1A1GAA | |
| SCHEMBL3994530 | 0.86 | CPB1 (0.48) | CCR2CCR5CASP3ALDH1A1GAA |
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-110933946-A | Process for the preparation of N- ((1R,2S,5R) -5- (tert-butylamino) -2- ((S) -3- (7-tert-butylpyrazolo [1,5-a ] [1,3,5] triazin-4-ylamino) -2-oxopyrrolidin-1-yl) cyclohexyl) acetamide | 百时美施贵宝公司 | 2020-03-27 | — | — | CN | disclosed |