Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4873447 | 0.69 | CA1 (0.31) | ALDH1A1HTTNPSR1 | |
| SCHEMBL15319233 | 0.69 | CA1 (0.31) | ALDH1A1HTTNPSR1 | |
| SCHEMBL10429571 | 0.69 | CA1 (0.31) | ALDH1A1HTTNPSR1 | |
| SCHEMBL27446767 | 0.66 | KDM4E (0.35) | KDM4EPKM | |
| Acetonitrile SCHEMBL28860678 | 0.66 | CA1 (0.31) | — | |
| SCHEMBL28150884 | 0.66 | HIF1A (0.30) | — | |
| SCHEMBL10927948 | 0.66 | — | — | |
| SCHEMBL5701610 | 0.65 | KDM4E (0.36) | KDM4EPKM | |
| SCHEMBL556904 | 0.65 | KDM4E (0.36) | KDM4EPKM | |
| SCHEMBL8817458 | 0.65 | KDM4E (0.37) | KDM4EPKM |
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-105330565-A | Novel method for catalytically synthesizing cyanobenzene derivative through copper | UNIV HANGZHOU NORMAL | 2016-02-17 | — | — | CN | disclosed |