Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5486616 | 0.79 | KEAP1 (0.58) | MAOABCHEKEAP1KMT2APDPK1 | |
| SCHEMBL10850227 | 0.74 | PDPK1 (0.59) | KEAP1PDPK1 | |
| SCHEMBL9572998 | 0.69 | HPGD (0.42) | MAOAKEAP1KMT2AMEN1HSP90AA1 | |
| SCHEMBL8290878 | 0.67 | KEAP1 (0.47) | MAOABCHEKEAP1KMT2APDPK1 | |
| SCHEMBL3431117 | 0.67 | MAOA (0.59) | MAOAHSP90AA1HSP90AB1LMNAHPGD | |
| SCHEMBL4688524 | 0.66 | IKBKB (0.62) | KMT2AMEN1PDPK1LMNAHPGD | |
| SCHEMBL3585380 | 0.64 | BRD4 (0.37) | — | |
| SCHEMBL2509697 | 0.64 | MAOA (1.00) | MAOAKMT2AMEN1LMNAMAPT | |
| SCHEMBL27857971 | 0.64 | TSHR (0.46) | KEAP1KMT2AMEN1HSP90AA1HSP90AB1 | |
| SCHEMBL5484862 | 0.64 | OPRM1 (0.60) | MAOAHSP90AA1HSP90AB1LMNAHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115073449-A | Fused ring heterocyclic compound and application thereof, and pharmaceutical composition containing fused ring heterocyclic compound and application thereof | 浙江大学 | 2022-09-20 | — | — | CN | disclosed |
| CN-115068471-A | Application of fused ring heterocyclic compound or pharmaceutically acceptable salt thereof in preparation of drugs for treating Parkinson's disease | 浙江大学 | 2022-09-20 | — | — | CN | disclosed |
| CN-115073448-A | Application of fused ring heterocyclic compound or pharmaceutically acceptable salt thereof in preparation of medicine for treating cerebral apoplexy | 浙江大学 | 2022-09-20 | — | — | CN | disclosed |