Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 9/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31391671 | 1.00 | ELANE (0.50) | ELANECCNB2CDK1CCNB1GSK3B | |
| SCHEMBL15059772 | 0.86 | ELANE (0.47) | ELANECCNB2CDK1CCNB1GSK3B | |
| SCHEMBL14785602 | 0.85 | ELANE (0.66) | ELANEALDH1A1LMNAF2PLAU | |
| SCHEMBL4143502 | 0.84 | ELANE (0.45) | ELANEPLA2G2A | |
| SCHEMBL31391678 | 0.82 | GABRA1 (0.39) | ELANEGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL4298389 | 0.80 | ELANE (0.58) | ELANEGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL23901079 | 0.79 | NTRK1 (0.34) | ELANEGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL23901077 | 0.79 | PRMT5 (0.41) | ELANEMAPK1F2PLAUKLKB1 | |
| SCHEMBL4142114 | 0.78 | EGFR (0.47) | ELANE | |
| SCHEMBL4300088 | 0.77 | ELANE (0.55) | ELANECCNB2CDK1CCNB1GSK3B |
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 |