Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | SCD | O00767 | 4/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 9/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL6582688 | 0.82 | CYP2D6 (0.44) | GRIN2BCYP2D6CYP2C9SCDADRA1A | |
| SCHEMBL6583196 | 0.80 | BRD4 (0.38) | GRIN2BSCDGPR119ADRA1AADRA1B | |
| SCHEMBL6580506 | 0.80 | BCHE (0.34) | GRIN2BSCDADRA1AADRA1B | |
| SCHEMBL6582799 | 0.79 | CCNT1 (0.38) | GRIN2BCYP2D6CYP2C9SCD | |
| SCHEMBL6581653 | 0.79 | HTR1A (0.37) | — | |
| SCHEMBL6582859 | 0.79 | GRIN2B (0.46) | GRIN2BCYP2D6CYP2C9SCDGPR119 | |
| SCHEMBL7096292 | 0.77 | GRIN2B (0.52) | GRIN2BCYP2D6CYP2C9 | |
| SCHEMBL6582400 | 0.76 | SCD (0.41) | GRIN2BSCDGPR119 | |
| SCHEMBL6584670 | 0.76 | HTR1A (0.37) | — | |
| SCHEMBL6535858 | 0.76 | GPR119 (0.57) | GRIN2BCYP2D6CYP2C9GPR119KEAP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1455788-A1 | 1-GLYCINYL-4-AMINOMETHYL-PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS | ELI LILLY AND COMPANY (US) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003049737-A1 | CHEMICAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 2003-06-19 | — | — | WO | disclosed |