Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 16/20 | 0.39 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 9/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27785938 | 0.88 | BTK (0.47) | LCKBTKCYP17A1MAP4K1CYP1A2 | |
| SCHEMBL27807945 | 0.78 | HRH4 (0.39) | — | |
| SCHEMBL27807927 | 0.78 | GABRG2 (0.32) | — | |
| SCHEMBL4924422 | 0.76 | LCK (0.51) | LCKBTKCYP17A1MAP4K1CYP1A2 | |
| SCHEMBL27785942 | 0.76 | GABRG2 (0.42) | LCKBTKCYP17A1 | |
| SCHEMBL27786019 | 0.76 | GABRG2 (0.47) | LCKBTK | |
| SCHEMBL27807907 | 0.76 | ALK (0.35) | — | |
| SCHEMBL27786270 | 0.75 | GABRG2 (0.41) | LCKBTK | |
| SCHEMBL27807933 | 0.74 | GABRA1 (0.45) | MAP4K1 | |
| SCHEMBL27807964 | 0.73 | HRH4 (0.35) | BTK |
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 |
|---|---|---|---|---|---|---|---|
| CN-101778849-A | Fused quinoline derivatives useful as gaba modulators | ASTRAZENECA AB | 2010-07-14 | — | — | CN | claimed |
| CN-101778849-A | Fused quinoline derivatives useful as gaba modulators | ASTRAZENECA AB | 2010-07-14 | — | — | CN | disclosed |