Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | L3MBTL4 | Q8NA19 | 1/20 | 0.35 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7991057 | 0.92 | PDE5A (0.40) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL7990211 | 0.91 | PDE5A (0.37) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL7989707 | 0.83 | ACHE (0.38) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL12680900 | 0.80 | PDE5A (0.36) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL8000126 | 0.79 | ACHE (0.44) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL7999209 | 0.79 | PDE5A (0.39) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL12680828 | 0.77 | L3MBTL4 (0.38) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL13845993 | 0.77 | BACE1 (0.35) | ALDH1A1CYP1A1CYP1B1CYP1A2NFE2L2 | |
| SCHEMBL7990539 | 0.77 | L3MBTL4 (0.42) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL8001694 | 0.77 | L3MBTL4 (0.42) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009117594-A1 | FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |
| WO-2009079353-A1 | TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-06-25 | — | — | WO | disclosed |