Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.33 |
| ▸ | SLC12A5 | Q9H2X9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7998514 | 0.94 | PKM (0.38) | PKMHDAC1HDAC8HDAC6SLC6A3 | |
| SCHEMBL7998468 | 0.93 | PKM (0.37) | PKMHDAC1HDAC8HDAC6SLC6A3 | |
| SCHEMBL7998466 | 0.89 | PKM (0.36) | PKMHDAC1HDAC8HDAC6SLC6A3 | |
| SCHEMBL7998518 | 0.85 | PKM (0.33) | PKMHDAC1HDAC8HDAC6SLC6A3 | |
| SCHEMBL7999178 | 0.80 | L3MBTL1 (0.33) | PKMHDAC1HDAC8HDAC6SLC6A3 | |
| SCHEMBL8010267 | 0.80 | HDAC1 (0.33) | HDAC1HDAC8HDAC6HTTKDM4E | |
| SCHEMBL8008282 | 0.78 | PKM (0.42) | PKMSLC6A3MAPTSMN1; SMN2GAA | |
| SCHEMBL10260674 | 0.78 | SLC6A3 (0.35) | HDAC1HDAC8HDAC6SLC6A3 | |
| SCHEMBL10292769 | 0.78 | SLC6A3 (0.35) | HDAC1HDAC8HDAC6SLC6A3 | |
| SCHEMBL7998569 | 0.78 | PKM (0.41) | PKMSLC6A3MAPTSMN1; SMN2GAA |
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 |