Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ILK | Q13418 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 2/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL23500886 | 0.74 | TLR8 (0.40) | TLR8TLR7 | |
| SCHEMBL23500856 | 0.73 | DHFR (0.43) | PIK3CAPIK3R1MTORPIK3CDPIK3CB | |
| SCHEMBL23500818 | 0.71 | DHFR (0.35) | — | |
| SCHEMBL23500922 | 0.70 | DCPS (0.55) | PIK3CDADORA2AADORA1 | |
| SCHEMBL1896438 | 0.69 | PTPN1 (0.39) | ILKPIK3CAHSP90AA1PTPN1SMN1; SMN2 | |
| SCHEMBL28006818 | 0.69 | HSP90AA1 (0.48) | HSP90AA1PTPN1SIGMAR1SMN1; SMN2BCHE | |
| SCHEMBL5612514 | 0.69 | HSP90AA1 (0.48) | HSP90AA1PTPN1SIGMAR1SMN1; SMN2BCHE | |
| SCHEMBL29653663 | 0.69 | ILK (0.46) | ILKSMN1; SMN2PIK3CGGAAACHE | |
| SCHEMBL23513893 | 0.69 | ILK (0.46) | ILKSMN1; SMN2PIK3CGGAAACHE | |
| SCHEMBL23500826 | 0.68 | DRD2 (0.39) | PIK3CAMTORPIK3CDPIK3CBPIK3CG |
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-2021114691-A1 | NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-06-17 | — | — | WO | disclosed |