Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | SCD | O00767 | 7/20 | 0.34 |
| ▸ | PIM1 | P11309 | 2/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6582799 | 0.84 | CCNT1 (0.38) | GRIN2BCYP3A4CYP2D6CYP2C9SCD | |
| SCHEMBL6583196 | 0.82 | BRD4 (0.38) | GRIN2BSCDPIM1GPR119BRD4 | |
| SCHEMBL6582672 | 0.79 | GRIN2B (0.39) | GRIN2BCYP2D6CYP2C9SCDGPR119 | |
| SCHEMBL5399467 | 0.78 | GRIN2B (0.58) | GRIN2BCYP3A4CYP2D6CYP2C9SCD | |
| SCHEMBL6582400 | 0.77 | SCD (0.41) | GRIN2BSCDGPR119BRD4 | |
| SCHEMBL6581653 | 0.76 | HTR1A (0.37) | — | |
| SCHEMBL6584670 | 0.75 | HTR1A (0.37) | — | |
| SCHEMBL6582688 | 0.73 | CYP2D6 (0.44) | GRIN2BCYP3A4CYP2D6CYP2C9SCD | |
| SCHEMBL6580506 | 0.71 | BCHE (0.34) | GRIN2BSCD | |
| SCHEMBL5403986 | 0.70 | GRIN2B (0.51) | GRIN2BCYP3A4CYP2D6CYP2C9PIM1 |
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 |