Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 5/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CD38 | P28907 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.34 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL7676477 | 0.88 | AKR1C3 (0.41) | KCNN4CES2CES1NOTUMAKR1C3 | |
| SCHEMBL7479581 | 0.85 | CES2 (0.44) | CES2CES1NOTUM | |
| SCHEMBL7563011 | 0.81 | CES2 (0.46) | SCN9AKCNN4CES2CES1CTSS | |
| SCHEMBL7470783 | 0.81 | MAOB (0.37) | CTSSCTSKNOTUMCYP3A4CD38 | |
| SCHEMBL7471669 | 0.76 | ACP3 (0.44) | KCNN4CTSSCTSKSLC9A1 | |
| SCHEMBL28722929 | 0.74 | KCNN4 (0.34) | SCN9AKCNN4CES2CES1CTSS | |
| SCHEMBL14120994 | 0.73 | P2RX7 (0.40) | CTSSCTSKAKR1C3AKR1C2 | |
| SCHEMBL26620983 | 0.73 | P2RX7 (0.40) | CTSSCTSKAKR1C3AKR1C2 | |
| SCHEMBL7465798 | 0.72 | CES2 (0.47) | KCNN4CES2CES1AKR1C3AKR1C2 | |
| SCHEMBL7465792 | 0.72 | CES2 (0.47) | KCNN4CES2CES1AKR1C3AKR1C2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1077701-A4 | ANTI-VIRAL COMPOUNDS | LILLY CO ELI (US) | 2002-03-20 | — | — | EP | disclosed |
| US-6358971-B1 | FOR INHIBITING THE GROWTH OF A PICORNAVIRUS | ELI LILLY AND COMPANY | 2002-03-19 | — | — | US | disclosed |
| EP-1077701-A1 | ANTI-VIRAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059587-A1 | ANTI-VIRAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 1999-11-25 | — | — | WO | disclosed |