Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | ARG1 | P05089 | 1/20 | 0.37 |
| ▸ | PPM1B | O75688 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15129727 | 0.98 | CYP2D6 (0.43) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL835926 | 0.87 | — | — | |
| SCHEMBL3719824 | 0.87 | — | — | |
| SCHEMBL526666 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL28229158 | 0.80 | PPM1B (0.42) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL25022698 | 0.79 | CHRNB2 (0.38) | CYP2D6CYP1A2ALOX15CYP2C19CHRNB2 | |
| SCHEMBL29573620 | 0.79 | CHRNB2 (0.38) | CYP2D6CYP1A2ALOX15CYP2C19CHRNB2 | |
| Ammonia Solution, Strong SCHEMBL10942345 | 0.79 | — | — | |
| SCHEMBL10517356 | 0.79 | CYP1A2 (0.59) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| Ammonia Solution, Strong SCHEMBL10948146 | 0.79 | CYP1A2 (0.59) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 |
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-108285434-A | The preparation method and application of three nitrogen piperazine -3,6- dicarboxylic acid esters of 5- aryl -1,2,4- | 天津大学 | 2018-07-17 | — | — | CN | disclosed |