Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 4/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7937653 | 0.80 | EPHX1 (0.50) | EPHX1HDAC4HDAC1HDAC6CTSK | |
| SCHEMBL2319551 | 0.78 | MEN1 (0.49) | CTSKCTSSGAAKMT2AMEN1 | |
| SCHEMBL741912 | 0.78 | HDAC4 (0.43) | EPHX1HDAC4HDAC1HDAC6CTSK | |
| SCHEMBL2374868 | 0.74 | GAA (0.42) | EPHX1HDAC4HDAC1HDAC6CTSK | |
| SCHEMBL14974206 | 0.73 | HDAC4 (0.43) | EPHX1HDAC4HDAC1HDAC6CTSK | |
| SCHEMBL14974209 | 0.73 | HDAC4 (0.43) | EPHX1HDAC4HDAC1HDAC6CTSK | |
| SCHEMBL12143614 | 0.73 | MEN1 (0.45) | EPHX1CTSKCTSSGAAKMT2A | |
| SCHEMBL30484742 | 0.71 | TSHR (0.36) | HDAC4HDAC1HDAC6KMT2AMEN1 | |
| SCHEMBL5126670 | 0.71 | KMT2A (0.53) | EPHX1HDAC4HDAC1HDAC6CTSK | |
| SCHEMBL3687446 | 0.71 | HDAC4 (0.44) | EPHX1HDAC4HDAC1HDAC6CTSK |
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-2010068714-A2 | DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS | SCHERING CORPORATION (US) | 2010-06-17 | — | — | WO | disclosed |