Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HPN | P05981 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7645330 | 0.86 | CA2 (0.61) | CA2CA1HSP90AA1CYP2C9CYP2C19 | |
| SCHEMBL29933298 | 0.86 | CA2 (0.61) | CA2CA1HSP90AA1CYP2C9CYP2C19 | |
| SCHEMBL8398676 | 0.84 | CA2 (0.53) | CA2CA1HSP90AA1CYP2C9CYP2C19 | |
| SCHEMBL11794274 | 0.78 | CA2 (0.65) | CA2CA1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7648280 | 0.77 | HSP90AA1 (0.56) | CA2CA1HSP90AA1CYP2C9CYP2C19 | |
| SCHEMBL29933377 | 0.77 | HSP90AA1 (0.56) | CA2CA1HSP90AA1CYP2C9CYP2C19 | |
| SCHEMBL18763612 | 0.73 | CA2 (0.61) | CA2CA1HSP90AA1CYP2C9CYP2C19 | |
| SCHEMBL8060062 | 0.69 | CA2 (0.45) | CA2CA1HSP90AA1CYP2C9CYP2C19 | |
| SCHEMBL11800010 | 0.69 | CA2 (0.48) | CA2CA1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL241470 | 0.68 | HSP90AA1 (0.62) | CA2CA1HSP90AA1CYP2C9CYP2C19 |
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-6486359-B1 | Catalyst comprising a complex of a metal of subgroup viii based on a phosphinite ligand, and a method for hydroformylation | BASF AKTIENGESELLSCHAFT (DE) | 2002-11-26 | — | — | US | disclosed |