Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | JUN | P05412 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.32 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | 0.85 | PDE5A (0.40) | BACE1JUNNFKB1CYP1A1CYP1B1 | |
| SCHEMBL13845981 | 0.85 | BACE1 (0.36) | BACE1ARJUNNFKB1CYP1A1 | |
| SCHEMBL7990211 | 0.82 | PDE5A (0.37) | BACE1CYP1A1CYP1B1NFE2L2CYP1A2 | |
| SCHEMBL13845936 | 0.81 | CYP1A1 (0.36) | BACE1ARJUNNFKB1CYP1A1 | |
| SCHEMBL13845930 | 0.81 | CYP1A1 (0.36) | BACE1ARJUNNFKB1CYP1A1 | |
| SCHEMBL13845935 | 0.80 | CYP1A1 (0.36) | BACE1ARJUNNFKB1CYP1A1 | |
| SCHEMBL13845921 | 0.79 | CYP1A1 (0.33) | BACE1ARJUNNFKB1CYP1A1 | |
| SCHEMBL13846057 | 0.78 | L3MBTL4 (0.43) | BACE1ARJUNNFKB1CYP1A1 | |
| SCHEMBL13846066 | 0.77 | L3MBTL4 (0.45) | BACE1ARCYP1A1CYP1B1NFE2L2 | |
| SCHEMBL8002469 | 0.77 | ACHE (0.40) | BACE1JUNNFKB1CYP1A1CYP1B1 |
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-2009064955-A1 | MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-05-22 | — | — | WO | disclosed |