Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.52 |
| ▸ | CES2 | O00748 | 6/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6206621 | 0.87 | CES1 (0.48) | CES1CES2THRBFNTAFNTB | |
| SCHEMBL6206983 | 0.83 | CES1 (0.52) | CES1CES2THRBFNTAFNTB | |
| SCHEMBL6206990 | 0.83 | CES1 (0.52) | CES1CES2THRBFNTAFNTB | |
| SCHEMBL7413174 | 0.78 | CES1 (0.44) | CES1CES2THRBFNTAFNTB | |
| SCHEMBL18047805 | 0.76 | CES1 (0.46) | CES1CES2CA1ALDH1A1AKR1B1 | |
| SCHEMBL6206987 | 0.75 | CES1 (0.52) | CES1CES2THRBFNTAFNTB | |
| SCHEMBL21582208 | 0.75 | CES1 (0.65) | CES1CES2THRBFNTAFNTB | |
| SCHEMBL21114376 | 0.74 | CES1 (0.72) | CES1CES2CA1HAO1ALDH1A1 | |
| SCHEMBL60653 | 0.74 | — | — | |
| SCHEMBL4593133 | 0.74 | CES1 (0.44) | CES1CES2THRBFNTAFNTB |
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-1532128-A1 | INHIBITORS OF HCV NS5B POLYMERASE | Pharmacia & Upjohn Company LLC (US) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004002977-A1 | INHIBITORS OF HCV NS5B POLYMERASE | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-01-08 | — | — | WO | disclosed |