Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 6/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.74 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2629146 | 0.94 | CYP2C19 (0.71) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL16592126 | 0.94 | CYP2C19 (0.72) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763036 | 0.92 | CYP2C19 (0.73) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763918 | 0.92 | CYP2C19 (0.70) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL6421424 | 0.92 | CYP2C19 (0.68) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1762968 | 0.92 | CYP2C19 (0.69) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL2629157 | 0.91 | CYP3A4 (0.68) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763652 | 0.91 | CYP2C19 (0.68) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1763161 | 0.90 | CYP2C19 (0.79) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL2629148 | 0.90 | CYP2C19 (0.77) | CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7662823-B2 | Pharmaceutical formulations of substituted azaindoleoxoacetic piperazine derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-02-16 | — | — | US | disclosed |