Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 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 | |
|---|---|---|---|---|
| SCHEMBL11634765 | 0.80 | — | — | |
| SCHEMBL29454745 | 0.75 | NISCH (0.50) | NISCHHTTRECQLPIM1CYP1A2 | |
| SCHEMBL29598957 | 0.75 | NISCH (0.50) | NISCHHTTRECQLPIM1CYP1A2 | |
| SCHEMBL78566 | 0.75 | NISCH (0.50) | NISCHHTTRECQLPIM1CYP1A2 | |
| SCHEMBL31372462 | 0.72 | NISCH (0.48) | NISCHHTTRECQLPIM1CYP1A2 | |
| SCHEMBL9794662 | 0.72 | NISCH (0.48) | NISCHHTTRECQLPIM1CYP1A2 | |
| Hydrochloric Acid SCHEMBL3640139 | 0.72 | NISCH (0.48) | NISCHHTTRECQLPIM1CYP1A2 | |
| SCHEMBL14053846 | 0.72 | NISCH (0.48) | NISCHHTTRECQLPIM1CYP1A2 | |
| SCHEMBL943994 | 0.72 | NISCH (0.39) | NISCHHTTRECQLPIM1CYP1A2 | |
| SCHEMBL30047036 | 0.72 | NISCH (0.41) | NISCHHTTRECQLPIM1CYP1A2 |
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-6613776-B2 | Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease | VERTEX PHARMACEUTICALS INCORPORATED | 2003-09-02 | — | — | US | claimed |