Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 4/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | TTK | P33981 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.31 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | KIT | P10721 | 2/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18520105 | 0.80 | ALDH1A1 (0.41) | ALOX5APPIK3CDPIK3CAPIK3CGPDE3B | |
| SCHEMBL3386265 | 0.75 | CYP11B1 (0.49) | ALOX5APPIM1CYP11B1CYP11B2FGFR3 | |
| SCHEMBL29640802 | 0.75 | CYP11B1 (0.49) | ALOX5APPIM1CYP11B1CYP11B2FGFR3 | |
| SCHEMBL28511565 | 0.72 | PIK3CD (0.44) | ALOX5APPIK3CDPIK3CAPIK3CGPDE3B | |
| SCHEMBL30640940 | 0.72 | PIK3CD (0.44) | ALOX5APPIK3CDPIK3CAPIK3CGPDE3B | |
| SCHEMBL19576762 | 0.72 | PDE3B (0.38) | ALOX5APPIK3CDPIK3CAPIK3CGPDE3B | |
| SCHEMBL3262269 | 0.70 | — | — | |
| SCHEMBL30337692 | 0.70 | METAP2 (0.45) | CYP11B1CYP11B2 | |
| SCHEMBL8974216 | 0.70 | METAP2 (0.45) | CYP11B1CYP11B2 | |
| SCHEMBL18519738 | 0.70 | PIK3CD (0.45) | ALOX5APPIK3CDPIK3CAPIK3CGPIM1 |
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-2017024996-A1 | HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF | 江苏恒瑞医药股份有限公司 | 2017-02-16 | — | — | WO | disclosed |