Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.54 |
| ▸ | HRH2 | P25021 | 4/20 | 0.49 |
| ▸ | HRH1 | P35367 | 4/20 | 0.49 |
| ▸ | CCR5 | P51681 | 1/20 | 0.49 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | JAK1 | P23458 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5011587 | 0.93 | CCR5 (0.55) | CTSKHRH2HRH1CCR5KCNA3 | |
| SCHEMBL25326818 | 0.92 | CA1 (0.54) | CTSKHRH2HRH1CCR5KCNA3 | |
| SCHEMBL10280626 | 0.86 | CTSK (0.57) | CTSKHRH2HRH1CCR5KCNA3 | |
| SCHEMBL18530346 | 0.86 | CTSK (0.57) | CTSKHRH2HRH1CCR5KCNA3 | |
| SCHEMBL13102176 | 0.86 | CTSK (0.57) | CTSKHRH2HRH1CCR5KCNA3 | |
| SCHEMBL13583572 | 0.86 | CTSK (0.57) | CTSKHRH2HRH1CCR5KCNA3 | |
| SCHEMBL13583571 | 0.86 | CTSK (0.57) | CTSKHRH2HRH1CCR5KCNA3 | |
| SCHEMBL13102166 | 0.86 | CTSK (0.57) | CTSKHRH2HRH1CCR5KCNA3 | |
| SCHEMBL1810659 | 0.85 | CTSK (0.56) | CTSKHRH2HRH1CCR5KCNA3 | |
| SCHEMBL1700413 | 0.85 | CTSK (0.56) | CTSKHRH2HRH1CCR5KCNA3 |
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-108727343-A | Quinazolinones PARP-1/2 inhibitor containing 3- amino nafoxidines and preparation method thereof, pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2018-11-02 | — | — | CN | disclosed |