Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 13/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 13/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 13/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | BUB1 | O43683 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27807915 | 0.92 | GABRG2 (0.41) | GABRG2GABRB3GABRA2ROCK2GABRA1 | |
| SCHEMBL27786019 | 0.88 | GABRG2 (0.47) | GABRG2GABRB3GABRA2GABRA1GABRA5 | |
| SCHEMBL27785959 | 0.87 | GABRG2 (0.40) | GABRG2GABRB3GABRA2 | |
| SCHEMBL27807992 | 0.85 | KDM4E (0.36) | GABRG2GABRB3GABRA2 | |
| SCHEMBL27786008 | 0.85 | CYP11B1 (0.41) | CYP17A1 | |
| SCHEMBL27785954 | 0.84 | GABRG2 (0.42) | GABRG2GABRB3GABRA2GABRA1GABRA5 | |
| SCHEMBL27807928 | 0.83 | USP1 (0.38) | GABRG2GABRB3GABRA2 | |
| SCHEMBL28787429 | 0.83 | HRH4 (0.35) | GABRG2GABRB3GABRA2GABRA1GABRA5 | |
| SCHEMBL27807911 | 0.82 | HRH4 (0.35) | — | |
| SCHEMBL27785942 | 0.82 | GABRG2 (0.42) | GABRG2GABRB3GABRA2CYP17A1LCK |
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 |