Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 8/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7998518 | 0.85 | PKM (0.33) | HDAC1HDAC8HDAC6ALDH1A1HPGD | |
| SCHEMBL7998466 | 0.81 | PKM (0.36) | HDAC1HDAC8HDAC6ALDH1A1HPGD | |
| SCHEMBL7998514 | 0.80 | PKM (0.38) | HDAC1HDAC8HDAC6ALDH1A1HPGD | |
| SCHEMBL8000613 | 0.80 | L3MBTL1 (0.32) | ALDH1A1KDM4E | |
| SCHEMBL7998465 | 0.80 | PKM (0.39) | HDAC1HDAC8HDAC6ALDH1A1HPGD | |
| SCHEMBL10292921 | 0.79 | — | — | |
| SCHEMBL7998468 | 0.77 | PKM (0.37) | HDAC1HDAC8HDAC6ALDH1A1HTT | |
| SCHEMBL7998573 | 0.77 | PRMT6 (0.36) | HDAC1HDAC8HDAC6ALDH1A1HPGD | |
| SCHEMBL7998527 | 0.73 | GRIN1 (0.35) | HDAC1HDAC8HDAC6 | |
| SCHEMBL8007763 | 0.68 | GRIN1 (0.35) | HDAC1HDAC8HDAC6ALDH1A1HPGD |
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-2009134987-A1 | DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-11-05 | — | — | WO | disclosed |