Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL27793790 | 0.78 | NISCH (0.42) | NISCHCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL13063834 | 0.74 | KDM4E (0.46) | NISCHALDH1A1CYP1A2HSP90AA1 | |
| Pyrazine SCHEMBL28349072 | 0.70 | — | — | |
| SCHEMBL2770773 | 0.70 | — | — | |
| SCHEMBL8977344 | 0.69 | CYP2A6 (0.48) | NISCHCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL11932704 | 0.68 | MAPT (0.42) | NISCHCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL18849413 | 0.68 | CCR1 (0.50) | — | |
| SCHEMBL19818395 | 0.68 | CASP3 (0.34) | — | |
| SCHEMBL18790369 | 0.67 | METAP2 (0.30) | — | |
| SCHEMBL78566 | 0.67 | NISCH (0.50) | NISCHALDH1A1P2RX7CYP1A2HSP90AA1 |
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-110283159-A | Tri- substituted azole of 2,3- disubstituted pyrroles or 2,3,4- and preparation method thereof of one kettle way preparation | 河南大学 | 2019-09-27 | — | — | CN | disclosed |