Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.58 |
| ▸ | CES1 | P23141 | 5/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6206992 | 0.86 | CES1 (0.55) | CES2CES1L3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL433480 | 0.79 | MAPT (0.56) | CES2CES1L3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL6206584 | 0.76 | CES2 (0.58) | CES2CES1L3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL16942397 | 0.75 | MEN1 (0.60) | SMN1; SMN2MAPTTSHRHSD17B10TDP1 | |
| SCHEMBL15673208 | 0.74 | CES2 (0.55) | CES2CES1L3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL21517648 | 0.74 | CES2 (1.00) | CES2CES1L3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL6206612 | 0.71 | CES1 (0.48) | CES2CES1TSHRALDH1A1 | |
| SCHEMBL6666603 | 0.71 | CES1 (0.48) | CES2CES1L3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL16796028 | 0.71 | CYP2C19 (0.46) | CES2CES1L3MBTL1HPGDCYP2C19 | |
| Benzoic Acid SCHEMBL30453578 | 0.71 | TSHR (0.56) | CES2CES1L3MBTL1SMN1; SMN2HPGD |
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 |