Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | L3MBTL4 | Q8NA19 | 1/20 | 0.36 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | JUN | P05412 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8003302 | 0.79 | ACHE (0.40) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL7989707 | 0.77 | ACHE (0.38) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL7999209 | 0.75 | PDE5A (0.39) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL18427348 | 0.73 | CYP3A4 (0.59) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL18716785 | 0.73 | CYP3A4 (0.59) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL8000126 | 0.72 | ACHE (0.44) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL7990608 | 0.72 | RELA (0.49) | ACHEALDH1A1NFE2L2TDP1 | |
| SCHEMBL4211349 | 0.71 | ACHE (0.56) | ACHEALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL12521537 | 0.71 | CYP1A1 (0.57) | CYP1A1CYP1B1NFE2L2CYP1A2MAPT | |
| SCHEMBL8002469 | 0.71 | ACHE (0.40) | 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 1 patent. 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 |