Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | L3MBTL4 | Q8NA19 | 1/20 | 0.45 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.45 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 8/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7991253 | 1.00 | ACHE (0.46) | ACHEL3MBTL4L3MBTL3SLC13A5ALDH1A1 | |
| SCHEMBL7990531 | 1.00 | ACHE (0.46) | ACHEL3MBTL4L3MBTL3SLC13A5ALDH1A1 | |
| SCHEMBL7989787 | 0.98 | ACHE (0.47) | ACHEL3MBTL4L3MBTL3SLC13A5ALDH1A1 | |
| SCHEMBL15186292 | 0.85 | HTR2A (0.53) | ACHESLC13A5L3MBTL1TDP1POLB | |
| SCHEMBL12680827 | 0.84 | SLC13A5 (0.44) | ACHEL3MBTL4L3MBTL3SLC13A5ALDH1A1 | |
| SCHEMBL13845938 | 0.82 | ADRA1A (0.39) | ADRA1ATAAR1 | |
| SCHEMBL13845934 | 0.82 | ADRA1A (0.39) | ADRA1ATAAR1 | |
| SCHEMBL13845991 | 0.82 | ADRA1A (0.39) | ADRA1ATAAR1 | |
| SCHEMBL2934176 | 0.80 | KDM4E (0.48) | ALDH1A1L3MBTL1MAPTSMN1; SMN2TDP1 | |
| SCHEMBL8053664 | 0.78 | SLC13A5 (0.47) | ACHEL3MBTL4L3MBTL3SLC13A5ALDH1A1 |
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 |