Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL19073354 | 0.90 | NOS3 (0.33) | PDE10ANOS3NOS1NOS2CCR1 | |
| SCHEMBL11970117 | 0.78 | FFAR1 (0.35) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL20321338 | 0.74 | NOS3 (0.41) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL22766265 | 0.73 | NOS3 (0.34) | NOS3NOS1NOS2CCR1CCR5 | |
| SCHEMBL7213446 | 0.73 | HRH4 (0.37) | PDE10AKDM4EALDH1A1 | |
| SCHEMBL19750295 | 0.73 | PDE10A (0.40) | PDE10ADHFR | |
| SCHEMBL18814541 | 0.73 | PDE10A (0.40) | PDE10ADHFR | |
| SCHEMBL9812234 | 0.71 | PDE10A (0.38) | PDE10ADHFRKDM4EALDH1A1CYP1A2 | |
| SCHEMBL16389759 | 0.70 | ATM (0.42) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL13367915 | 0.70 | TLR8 (0.33) | SLC13A5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2522658-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL/HORTICULTURAL GERMICIDE | Nippon Soda Co., Ltd. (JP) | 2012-11-14 | — | — | EP | disclosed |