Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | PTAFR | P25105 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5139867 | 0.84 | HDAC3 (0.50) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL5097544 | 0.76 | HPGD (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL5090684 | 0.76 | ALDH1A1 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4393503 | 0.75 | POLB (0.37) | HDAC1MAPTCYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL4393512 | 0.75 | POLB (0.37) | HDAC1MAPTCYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL2009313 | 0.71 | CHRNA7 (0.46) | CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL15592301 | 0.67 | SREBF2 (0.60) | CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL16610103 | 0.66 | CYP3A4 (0.61) | HDAC2HDAC8HDAC6MAPTCYP3A4 | |
| SCHEMBL4397742 | 0.66 | POLB (0.38) | MAPTALDH1A1CA1CA2CA9 | |
| SCHEMBL4397733 | 0.66 | POLB (0.38) | MAPTALDH1A1CA1CA2CA9 |
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-1968609-A2 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS | RND Pharmaceuticals, Inc. (US) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007073560-A2 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF HIGHLY LIPOPHILIC SULFHYDRYL COMPOUNDS | RND PHARMACEUTICALS, INC. (US) | 2007-06-28 | — | — | WO | disclosed |