Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 3/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NHERF1 | O14745 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL414867 | 0.85 | TNIK (0.53) | AAK1CYP2C19CYP2C9BTK | |
| SCHEMBL17854948 | 0.78 | AAK1 (0.43) | NR4A2AAK1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL857599 | 0.77 | BRAF (0.54) | AAK1CYP2C19CYP2C9BTKCAMKK2 | |
| SCHEMBL878650 | 0.74 | TNIK (0.54) | AAK1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL416872 | 0.72 | TNIK (0.56) | AAK1CYP2D6 | |
| SCHEMBL878738 | 0.71 | TNIK (0.55) | AAK1CYP2C19CYP2C9HSD17B1HSD17B2 | |
| SCHEMBL413343 | 0.71 | NTRK1 (0.60) | AAK1BTK | |
| SCHEMBL3706659 | 0.71 | INSR (0.55) | AAK1CYP2C19CYP2C9CLK4MAPK1 | |
| SCHEMBL298800 | 0.71 | TNIK (0.54) | AAK1CYP2C19CYP2C9BTKCAMKK2 | |
| SCHEMBL3244339 | 0.70 | BRD4 (0.42) | NR4A2AAK1CYP1A2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-8143271-B2 | Compounds and methods for kinase modulation, and indications therefor | PLEXXIKON INC. (US) | 2012-03-27 | — | — | US | disclosed |
| US-8143271-B2 | Compounds and methods for kinase modulation, and indications therefor | PLEXXIKON INC. (US) | 2012-03-27 | — | — | US | disclosed |