Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | ECE1 | P42892 | 1/20 | 0.32 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.31 |
| ▸ | SLC12A5 | Q9H2X9 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7998466 | 0.87 | PKM (0.36) | PKMHDAC1HDAC8HDAC6SLC6A3 | |
| SCHEMBL8010267 | 0.85 | HDAC1 (0.33) | HDAC1HDAC8HDAC6ALDH1A1KDM4E | |
| SCHEMBL7998465 | 0.85 | PKM (0.39) | PKMHDAC1HDAC8HDAC6SLC6A3 | |
| SCHEMBL7998514 | 0.83 | PKM (0.38) | PKMHDAC1HDAC8HDAC6SLC6A3 | |
| SCHEMBL7998468 | 0.82 | PKM (0.37) | PKMHDAC1HDAC8HDAC6SLC6A3 | |
| SCHEMBL8005068 | 0.80 | L3MBTL1 (0.31) | ALDH1A1KDM4EHPGD | |
| SCHEMBL10260413 | 0.79 | DRD2 (0.35) | SLC6A3 | |
| SCHEMBL8010415 | 0.79 | PRMT6 (0.35) | PKMSLC6A3ECE1SLC12A2SLC12A5 | |
| SCHEMBL7998527 | 0.78 | GRIN1 (0.35) | HDAC1HDAC8HDAC6 | |
| SCHEMBL8008282 | 0.72 | PKM (0.42) | PKMSLC6A3SLC12A2SLC12A5GRM5 |
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 |