Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | NAAA | Q02083 | 2/20 | 0.49 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | CTSV | O60911 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2807876 | 0.89 | HDAC4 (0.53) | HDAC4HDAC1NAAAEPHX1SIRT2 | |
| SCHEMBL2807880 | 0.89 | HDAC4 (0.53) | HDAC4HDAC1NAAAEPHX1SIRT2 | |
| SCHEMBL2805485 | 0.88 | HDAC4 (0.52) | HDAC4HDAC1NAAAZDHHC7EPHX1 | |
| SCHEMBL2805502 | 0.88 | HDAC4 (0.52) | HDAC4HDAC1EPHX1CTSKCTSV | |
| SCHEMBL2805504 | 0.88 | HDAC4 (0.52) | HDAC4HDAC1EPHX1CTSKCTSV | |
| SCHEMBL2805484 | 0.88 | HDAC4 (0.52) | HDAC4HDAC1NAAAZDHHC7EPHX1 | |
| SCHEMBL27780890 | 0.88 | HDAC4 (0.54) | HDAC4HDAC1NAAAEPHX1SIRT2 | |
| SCHEMBL2809542 | 0.87 | HDAC4 (0.51) | HDAC4HDAC1NAAAEPHX1SIRT2 | |
| SCHEMBL4442492 | 0.87 | HDAC4 (0.51) | HDAC4HDAC1NAAAEPHX1SIRT2 | |
| Hydrochloric Acid SCHEMBL4446986 | 0.86 | HDAC4 (0.53) | HDAC4HDAC1NAAAEPHX1SIRT2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125757-A1 | MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS | Novartis AG (CH) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008101665-A1 | MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS | NOVARTIS AG (CH) | 2008-08-28 | — | — | WO | disclosed |