Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 14/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 14/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 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 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL19869647 | 0.86 | HDAC4 (0.38) | HDAC4HDAC1SMN1; SMN2ALDH1A1HDAC6 | |
| SCHEMBL16258958 | 0.82 | OPRM1 (0.34) | HDAC4HDAC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8249384 | 0.79 | F2 (0.37) | HDAC4HDAC1HDAC6 | |
| SCHEMBL6382019 | 0.79 | F2 (0.37) | HDAC4HDAC1HDAC6 | |
| SCHEMBL7919172 | 0.77 | BIRC3 (0.39) | HDAC4HDAC1HDAC6 | |
| SCHEMBL7932107 | 0.76 | PPIA (0.33) | HDAC4HDAC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL19870556 | 0.73 | BIRC3 (0.36) | HDAC4HDAC1HDAC6 | |
| SCHEMBL11975943 | 0.72 | ADRB3 (0.35) | HDAC4HDAC1TSHRALDH1A1TDP1 | |
| SCHEMBL11975940 | 0.69 | HDAC4 (0.33) | HDAC4HDAC1TSHRALDH1A1TDP1 | |
| SCHEMBL18196054 | 0.67 | HDAC4 (0.68) | HDAC4HDAC1SMN1; SMN2ALDH1A1HDAC6 |
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-2007015824-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2007-02-08 | — | — | WO | disclosed |