Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 17/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 16/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20289359 | 0.85 | SLC6A4 (0.48) | SLC6A4SLC6A2KCNH2SLC6A3CYP2D6 | |
| SCHEMBL21799150 | 0.79 | IDH1 (0.40) | CACNA1CCACNA2D1 | |
| SCHEMBL21799149 | 0.79 | IDH1 (0.40) | CACNA1CCACNA2D1 | |
| SCHEMBL28311547 | 0.76 | SLC6A4 (0.43) | SLC6A4SLC6A2KCNH2SLC6A3CYP2D6 | |
| SCHEMBL28311543 | 0.76 | SLC6A4 (0.43) | SLC6A4SLC6A2KCNH2SLC6A3CYP2D6 | |
| SCHEMBL19700747 | 0.76 | SLC6A4 (0.43) | SLC6A4SLC6A2KCNH2SLC6A3CYP2D6 | |
| SCHEMBL20289617 | 0.74 | ALDH1A1 (0.44) | CYP3A4 | |
| SCHEMBL8472276 | 0.72 | SLC6A2 (0.62) | SLC6A4SLC6A2KCNH2SLC6A3CYP2D6 | |
| SCHEMBL30330276 | 0.72 | CYP2D6 (0.57) | SLC6A4SLC6A2KCNH2SLC6A3CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28279069 | 0.72 | SLC6A2 (0.41) | SLC6A4SLC6A2KCNH2SLC6A3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018111707-A1 | 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS | ELI LILLY AND COMPANY (US) | 2018-06-21 | — | — | WO | disclosed |