Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.49 |
| ▸ | CES1 | P23141 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3638268 | 0.82 | CES2 (0.50) | CES2CES1BCHE | |
| SCHEMBL8013319 | 0.79 | CES2 (0.52) | CES2CES1ALDH1A1BCHEPTGS1 | |
| SCHEMBL5084947 | 0.78 | CES2 (0.65) | CES2CES1ALDH1A1 | |
| SCHEMBL3733998 | 0.77 | CES2 (0.42) | CES2CES1EPHX2 | |
| SCHEMBL195340 | 0.76 | CES2 (0.49) | CES2CES1PTGS1PTGS2 | |
| SCHEMBL7478644 | 0.74 | CES2 (0.50) | CES2CES1ALDH1A1 | |
| SCHEMBL7466460 | 0.74 | CES2 (0.50) | CES2CES1ALDH1A1 | |
| SCHEMBL30882180 | 0.74 | CES2 (0.50) | CES2CES1ALDH1A1 | |
| SCHEMBL8127998 | 0.73 | CES2 (0.47) | CES2CES1ALDH1A1 | |
| SCHEMBL3635938 | 0.73 | CES2 (0.47) | CES2CES1ALDH1A1 |
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 |