Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CLK1 | P49759 | 2/20 | 0.35 |
| ▸ | PLK4 | O00444 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | LCK | P06239 | 2/20 | 0.35 |
| ▸ | FYN | P06241 | 2/20 | 0.35 |
| ▸ | FES | P07332 | 2/20 | 0.35 |
| ▸ | CSF1R | P07333 | 2/20 | 0.35 |
| ▸ | LYN | P07948 | 2/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.35 |
| ▸ | FLT1 | P17948 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | FLT3 | P36888 | 2/20 | 0.35 |
| ▸ | FRK | P42685 | 2/20 | 0.35 |
| ▸ | CLK2 | P49760 | 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 | |
|---|---|---|---|---|
| SCHEMBL298502 | 0.99 | PAK1 (0.39) | PAK1CYP2C9CYP2C19HSD11B1CYP3A4 | |
| SCHEMBL298126 | 0.89 | BRAF (0.42) | PAK1CYP2C9CYP2C19CYP3A4CLK1 | |
| SCHEMBL297910 | 0.89 | CYP2C19 (0.41) | PAK1CYP2C19CYP3A4CLK1PLK4 | |
| SCHEMBL298555 | 0.88 | CYP2C19 (0.41) | PAK1CYP2C19CYP3A4CLK1PLK4 | |
| SCHEMBL298748 | 0.88 | BRAF (0.41) | PAK1CYP2C9CYP2C19CYP3A4CLK1 | |
| SCHEMBL297236 | 0.87 | AAK1 (0.39) | PAK1CYP2C9CLK1PLK4AURKA | |
| SCHEMBL299342 | 0.86 | AAK1 (0.38) | PAK1CYP2C9CLK1FESCSF1R | |
| SCHEMBL297099 | 0.85 | BRAF (0.43) | PAK1CYP2C9CYP2C19CYP3A4CLK1 | |
| SCHEMBL299489 | 0.83 | PAK1 (0.49) | PAK1TNIKPDPK1PAK4 | |
| SCHEMBL298746 | 0.81 | CAMKK2 (0.57) | PAK1CYP2C9CYP2C19PLK4AURKA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2427433-A1 | SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS | Plexxikon, Inc. (US) | 2012-03-14 | — | — | EP | disclosed |