Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 8/20 | 0.48 |
| ▸ | CES2 | O00748 | 7/20 | 0.48 |
| ▸ | FNTA | P49354 | 2/20 | 0.41 |
| ▸ | FNTB | P49356 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6206607 | 1.00 | CES1 (0.48) | CES1CES2FNTAFNTBTHRB | |
| SCHEMBL6206983 | 0.87 | CES1 (0.52) | CES1CES2FNTAFNTBTHRB | |
| SCHEMBL6206990 | 0.87 | CES1 (0.52) | CES1CES2FNTAFNTBTHRB | |
| SCHEMBL6206621 | 0.82 | CES1 (0.48) | CES1CES2FNTAFNTBTHRB | |
| SCHEMBL1276172 | 0.76 | HDAC3 (0.43) | CES1CES2FNTAFNTBTHRB | |
| SCHEMBL3596261 | 0.76 | HDAC3 (0.43) | CES1CES2FNTAFNTBTHRB | |
| Hydrochloric Acid SCHEMBL10322255 | 0.74 | FNTA (0.42) | CES1CES2FNTAFNTBTHRB | |
| SCHEMBL6206612 | 0.73 | CES1 (0.48) | CES1CES2FNTAFNTBTHRB | |
| SCHEMBL20555882 | 0.72 | — | — | |
| SCHEMBL8769132 | 0.72 | CES2 (0.69) | CES1CES2FFAR3HDAC3HDAC1 |
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 |