Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 7/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | GRN | P28799 | 1/20 | 0.30 |
| ▸ | SORT1 | Q99523 | 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 | |
|---|---|---|---|---|
| SCHEMBL8007763 | 0.86 | GRIN1 (0.35) | GRIN1GRIN2BHDAC1HDAC8HDAC6 | |
| SCHEMBL7999089 | 0.84 | HDAC1 (0.34) | GRIN1GRIN2BHDAC1HDAC8HDAC6 | |
| SCHEMBL7998525 | 0.82 | HDAC1 (0.33) | GRIN1GRIN2BHDAC1HDAC8HDAC6 | |
| SCHEMBL8007717 | 0.81 | HDAC6 (0.33) | GRIN1GRIN2BHDAC1HDAC8HDAC6 | |
| SCHEMBL10292811 | 0.79 | AAK1 (0.30) | — | |
| SCHEMBL8007633 | 0.79 | LIPC (0.31) | HDAC1HDAC8HDAC6 | |
| SCHEMBL10260921 | 0.79 | AAK1 (0.30) | — | |
| SCHEMBL7998518 | 0.78 | PKM (0.33) | HDAC1HDAC8HDAC6 | |
| SCHEMBL8013957 | 0.78 | GRIN1 (0.36) | GRIN1GRIN2BGRNSORT1 | |
| SCHEMBL8010267 | 0.73 | HDAC1 (0.33) | HDAC1HDAC8HDAC6 |
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 |