Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 5/20 | 0.34 |
| ▸ | ELANE | P08246 | 7/20 | 0.34 |
| ▸ | INSR | P06213 | 3/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31391678 | 0.85 | GABRA1 (0.39) | ELANEGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL31391671 | 0.79 | ELANE (0.50) | ELANEGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL23901080 | 0.79 | ELANE (0.50) | ELANEGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL3512726 | 0.78 | NTRK1 (0.40) | NTRK1INSRALKAURKAIGF1R | |
| SCHEMBL3511654 | 0.77 | NTRK1 (0.37) | NTRK1INSRALKIGF1R | |
| SCHEMBL23901077 | 0.73 | PRMT5 (0.41) | ELANEF2 | |
| SCHEMBL3513451 | 0.70 | ALK (0.39) | NTRK1INSRALKAURKAIGF1R | |
| SCHEMBL3513453 | 0.70 | ALK (0.40) | NTRK1INSRALKAURKAIGF1R | |
| SCHEMBL14785602 | 0.68 | ELANE (0.66) | ELANEF2 | |
| SCHEMBL668818 | 0.67 | ELANE (0.41) | ELANESCN9AF2 |
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-2021197467-A1 | MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华汇拓医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |