Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | 0.97 | PKM (0.38) | PKMHDAC1HDAC8HDAC6MAPT | |
| SCHEMBL7998465 | 0.93 | PKM (0.39) | PKMHDAC1HDAC8HDAC6MAPT | |
| SCHEMBL7998466 | 0.87 | PKM (0.36) | PKMHDAC1HDAC8HDAC6MAPT | |
| SCHEMBL7998518 | 0.82 | PKM (0.33) | PKMHDAC1HDAC8HDAC6SLC6A3 | |
| SCHEMBL8007754 | 0.82 | PKM (0.42) | PKMMAPTSLC6A3SMN1; SMN2GAA | |
| SCHEMBL8010413 | 0.81 | PKM (0.41) | PKMMAPTSLC6A3SMN1; SMN2GAA | |
| SCHEMBL7998569 | 0.81 | PKM (0.41) | PKMMAPTSLC6A3SMN1; SMN2GAA | |
| SCHEMBL8008226 | 0.81 | PKM (0.32) | PKMMAPTSLC6A3SMN1; SMN2ALDH1A1 | |
| SCHEMBL8008282 | 0.80 | PKM (0.42) | PKMMAPTSLC6A3SMN1; SMN2GAA | |
| SCHEMBL10260051 | 0.79 | SLC6A3 (0.34) | HDAC1HDAC8HDAC6SLC6A3HDAC3 |
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 |