Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 3/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4259393 | 0.88 | CETP (0.39) | CTSLCTSSCETPCSNK1ECNR2 | |
| SCHEMBL7814719 | 0.83 | RCE1 (0.44) | CTSLCTSSCETPCSNK1ECNR2 | |
| SCHEMBL15441675 | 0.82 | CETP (0.39) | CTSLCTSSCETPCSNK1ECNR2 | |
| SCHEMBL3335354 | 0.78 | CETP (0.36) | CTSLCTSSCETPCSNK1ECNR2 | |
| SCHEMBL30524953 | 0.78 | CETP (0.42) | CTSLCTSSCETPCSNK1ECNR2 | |
| SCHEMBL2640220 | 0.77 | TSHR (0.44) | CETPTSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL17863583 | 0.77 | TSHR (0.48) | TSHRALDH1A1MEN1CYP1A2CYP2D6 | |
| SCHEMBL6679829 | 0.76 | CTSK (0.43) | CTSLCTSSCETPCSNK1ECNR2 | |
| SCHEMBL10723250 | 0.76 | PTGES (0.39) | CTSLCTSSCETPCSNK1ECNR2 | |
| SCHEMBL21230427 | 0.75 | CTSK (0.43) | CTSLCTSSCETPCSNK1ECNR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009046098-A1 | NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION | SMITHKLINE BEECHAM CORPORATION (US) | 2009-04-09 | — | — | WO | disclosed |