Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | HTR7 | P34969 | 3/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | GSK3B | P49841 | 3/20 | 0.47 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.47 |
| ▸ | CDK1 | P06493 | 2/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.47 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | HTR5A | P47898 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16812980 | 0.87 | ALDH1A1 (0.52) | ALDH1A1HTR7CHRM4DRD2HPGD | |
| SCHEMBL16812979 | 0.87 | CHRM4 (0.59) | ALDH1A1HTR7CHRM4DRD2HPGD | |
| SCHEMBL16813041 | 0.85 | HPGD (0.47) | ALDH1A1HPGDGSK3BCCNB2CDK1 | |
| SCHEMBL16813014 | 0.84 | CHRM4 (0.51) | ALDH1A1HTR7CHRM4DRD2GSK3B | |
| SCHEMBL16813021 | 0.84 | CHRM4 (0.51) | ALDH1A1HTR7CHRM4DRD2HPGD | |
| SCHEMBL16812977 | 0.83 | GABRA1 (0.51) | ALDH1A1HPGDHTR1AKDM4EMAPT | |
| SCHEMBL16813036 | 0.83 | CNR1 (0.56) | ALDH1A1GSK3BCCNB2CDK1CCNB1 | |
| SCHEMBL16813042 | 0.83 | ALDH1A1 (0.46) | ALDH1A1HPGDGSK3BCCNB2CDK1 | |
| SCHEMBL16796608 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HTR7CHRM4DRD2HPGD | |
| SCHEMBL16813010 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HTR7CHRM4DRD2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015088565-A1 | P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2015-06-18 | — | — | WO | disclosed |