Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | PLAU | P00749 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14237878 | 0.80 | PLAU (0.50) | TDP1LMNAKDM4EALDH1A1GLA | |
| SCHEMBL6017198 | 0.80 | PDPK1 (0.45) | TDP1LMNAKDM4EALDH1A1GLA | |
| SCHEMBL282566 | 0.78 | POLB (0.35) | LMNAKDM4EALDH1A1GLAHPGD | |
| SCHEMBL29452887 | 0.78 | POLB (0.35) | LMNAKDM4EALDH1A1GLAHPGD | |
| SCHEMBL282242 | 0.77 | MAPK1 (0.35) | LMNAADORA2APDPK1POLBMAP2K3 | |
| SCHEMBL28984982 | 0.75 | TDP1 (0.47) | TDP1LMNAKDM4EALDH1A1GLA | |
| SCHEMBL31071677 | 0.75 | TDP1 (0.47) | TDP1LMNAKDM4EALDH1A1GLA | |
| SCHEMBL16196486 | 0.75 | SYK (0.32) | LMNAPOLBSYK | |
| SCHEMBL29452970 | 0.75 | SYK (0.32) | LMNAPOLBSYK | |
| SCHEMBL3574871 | 0.73 | TDP1 (0.54) | TDP1KDM4EALDH1A1HPGDHSD17B10 |
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-103467392-B | A kind of polyhalo pyrazinecarboxamide derivatives and its esters, preparation method and purposes | 重庆工商大学 | 2016-08-17 | — | — | CN | disclosed |