Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL30882180 | 1.00 | CES2 (0.50) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL7466460 | 0.85 | CES2 (0.50) | CES2CES1ALDH1A1CYP2C19KEAP1 | |
| SCHEMBL7471753 | 0.83 | CES2 (0.49) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL963511 | 0.81 | CES2 (0.47) | CES2CES1IDO1TDO2HTT | |
| SCHEMBL3703093 | 0.80 | CES2 (0.53) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL3065996 | 0.80 | CES2 (0.53) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL8397155 | 0.80 | CES2 (0.53) | CES2CES1IDO1TDO2ALDH1A1 | |
| SCHEMBL7472297 | 0.79 | PDE2A (0.54) | CES2ALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL4533837 | 0.79 | CES2 (0.45) | CES2CES1ALDH1A1HTTCYP2C19 | |
| SCHEMBL1671155 | 0.78 | CES2 (0.66) | CES2CES1IDO1TDO2ALDH1A1 |
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 |