Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PGK1 | P00558 | 3/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| SCHEMBL314417 | 0.86 | PDE3B (0.33) | GAANPC1PDE3BPDE3AALDH1A1 | |
| SCHEMBL8003339 | 0.82 | POLB (0.39) | GAAP2RX3P2RX2PDE3BPDE3A | |
| SCHEMBL15216079 | 0.81 | SLC2A1 (0.40) | SLC2A1GAANPC1KDM4EALDH1A1 | |
| SCHEMBL8005887 | 0.81 | SLC2A1 (0.40) | SLC2A1GAANPC1HSP90AA1HSP90AB1 | |
| SCHEMBL15216087 | 0.81 | SLC2A1 (0.42) | SLC2A1GAANPC1P2RX3P2RX2 | |
| SCHEMBL15216084 | 0.79 | ACHE (0.40) | SLC2A1GAANPC1KDM4EALDH1A1 | |
| SCHEMBL8004279 | 0.79 | SHMT1 (0.31) | — | |
| SCHEMBL8006162 | 0.79 | ALDH1A1 (0.37) | SLC2A1NPC1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL577763 | 0.77 | PGK1 (0.32) | PGK1GSK3BMAP4K2APLNR | |
| SCHEMBL15216076 | 0.77 | CYP1A1 (0.35) | HSP90AA1HSP90AB1 |
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-2250174-B1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS INC (US) | 2013-08-28 | — | — | EP | disclosed |
| WO-2009099596-A2 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARAMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |