Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | DRD4 | P21917 | 3/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27720694 | 0.87 | CHEK1 (0.40) | CHEK1 | |
| SCHEMBL27720686 | 0.84 | CHEK1 (0.41) | CHEK1 | |
| SCHEMBL27720913 | 0.83 | CHEK1 (0.43) | CHEK1 | |
| SCHEMBL27720682 | 0.83 | CHEK1 (0.40) | CHEK1 | |
| SCHEMBL3049632 | 0.82 | DRD4 (0.46) | DRD2DRD4OPRK1HTR1AADRA2A | |
| SCHEMBL28768685 | 0.81 | CHEK1 (0.41) | DRD3CHEK1 | |
| SCHEMBL27720722 | 0.81 | CHEK1 (0.41) | MAPTNPSR1CHEK1ALDH1A1ALOX15 | |
| SCHEMBL27720678 | 0.79 | ATR (0.38) | DRD2PARP1MAPTRAB9AKDM4E | |
| SCHEMBL28768698 | 0.77 | SUCNR1 (0.39) | DRD2CHEK1SIGMAR1 | |
| SCHEMBL27700174 | 0.75 | GRIN2D (0.35) | KDM4E |
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-101163675-A | Nitrogen-containing heterocyclic compound | KYOWA HAKKO KOGYO KK (JP) | 2008-04-16 | — | — | CN | disclosed |