Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL28458248 | 0.84 | BACE1 (0.30) | BACE1 | |
| SCHEMBL28473610 | 0.77 | CA2 (0.38) | BACE1 | |
| SCHEMBL11264366 | 0.74 | LMNA (0.38) | BACE1 | |
| SCHEMBL28462056 | 0.74 | CA2 (0.42) | BACE1 | |
| SCHEMBL216066 | 0.72 | LMNA (0.35) | BACE1 | |
| SCHEMBL20450161 | 0.72 | KDM4E (0.34) | BACE1 | |
| SCHEMBL28468752 | 0.72 | BACE1 (0.36) | BACE1ESR1ESR2 | |
| SCHEMBL28481185 | 0.68 | ENPP2 (0.36) | BACE1 | |
| SCHEMBL10042677 | 0.64 | MGLL (0.50) | ESR1ESR2 | |
| SCHEMBL16061925 | 0.64 | AKR1C3 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108059615-B | Organic material and application thereof in organic electroluminescent device | 北京燕化集联光电技术有限公司 | 2020-09-15 | — | — | CN | disclosed |