Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CCR9 | P51686 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7869062 | 0.89 | CYP3A4 (0.44) | CYP3A4KITHDAC1HDAC8CYP2C9 | |
| SCHEMBL7880231 | 0.89 | CYP3A4 (0.53) | CYP3A4KITHDAC3HDAC4HDAC1 | |
| SCHEMBL7869096 | 0.88 | CYP3A4 (0.45) | CYP3A4KITCYP2C9PIK3CABRAF | |
| SCHEMBL298324 | 0.85 | CYP3A4 (0.47) | CYP3A4KITHDAC3HDAC4HDAC1 | |
| SCHEMBL298424 | 0.82 | SLC40A1 (0.48) | CYP3A4KITHDAC3HDAC4HDAC1 | |
| SCHEMBL7868957 | 0.81 | CYP3A4 (0.51) | CYP3A4CYP2C9PIK3CA | |
| SCHEMBL298752 | 0.80 | PAK1 (0.44) | CYP3A4KITHDAC3HDAC4HDAC1 | |
| SCHEMBL12703796 | 0.80 | CYP3A4 (0.59) | CYP3A4KITCYP2C9CYP2D6BRAF | |
| SCHEMBL7872497 | 0.79 | BRAF (0.56) | CYP3A4KITCYP2C9CYP2D6BRAF | |
| SCHEMBL7876631 | 0.79 | BRAF (0.38) | CYP3A4KITCYP2C9BRAF |
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-2010129570-A1 | SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS | PLEXXIKON, INC. (US) | 2010-11-11 | — | — | WO | disclosed |