Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 4/20 | 0.47 |
| ▸ | F10 | P00742 | 4/20 | 0.47 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19820646 | 0.89 | F2 (0.53) | F2F10SIRT1CALCRLALDH1A1 | |
| SCHEMBL21875725 | 0.87 | F2 (0.51) | F2F10ALDH1A1TDP1HSD11B1 | |
| SCHEMBL28396135 | 0.86 | F2 (0.50) | F2F10SIRT1CALCRLOPRM1 | |
| SCHEMBL28397380 | 0.85 | F2 (0.47) | F2F10SIRT1ALDH1A1 | |
| SCHEMBL20649325 | 0.85 | F2 (0.52) | F2F10SIRT1ALDH1A1OPRM1 | |
| SCHEMBL28391886 | 0.84 | F2 (0.55) | F2F10SIRT1ALDH1A1TDP1 | |
| SCHEMBL3537265 | 0.83 | F10 (0.66) | F2F10SIRT1OPRM1OPRD1 | |
| SCHEMBL20649166 | 0.81 | SIRT1 (0.46) | F2F10SIRT1SMN1; SMN2HSD11B1 | |
| SCHEMBL21875684 | 0.80 | F2 (0.41) | F2F10ALDH1A1TDP1 | |
| SCHEMBL30183740 | 0.79 | SIRT1 (0.42) | F2F10SIRT1ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110997678-B | Pyrazoloquinazoline derivatives as choline kinase inhibitors | 内尔维亚诺医疗科学公司 | 2023-02-21 | — | — | CN | disclosed |
| CN-110997678-A | Pyrazoloquinazoline derivatives as choline kinase inhibitors | 内尔维亚诺医疗科学公司 | 2020-04-10 | — | — | CN | disclosed |