Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.44 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9099311 | 1.00 | GABRA1 (0.44) | GABRA1GABRA5GABRB2GABRR1GABRA4 | |
| SCHEMBL9099296 | 1.00 | GABRA1 (0.44) | GABRA1GABRA5GABRB2GABRR1GABRA4 | |
| Bromide SCHEMBL27459913 | 0.98 | GABRA1 (0.43) | GABRA1GABRA5GABRB2GABRR1GABRA4 | |
| SCHEMBL3191452 | 0.71 | — | — | |
| SCHEMBL13479874 | 0.71 | — | — | |
| SCHEMBL27460735 | 0.71 | NOS1 (0.47) | GABRA1GABRA5GABRB2GABRR1GABRA4 | |
| SCHEMBL27458349 | 0.71 | NOS1 (0.47) | GABRA1GABRA5GABRB2GABRR1GABRA4 | |
| SCHEMBL9059941 | 0.71 | GABRA1 (0.41) | GABRA1GABRA5GABRB2GABRR1GABRA4 | |
| SCHEMBL27458350 | 0.71 | NOS1 (0.47) | GABRA1GABRA5GABRB2GABRR1GABRA4 | |
| Hydrochloric Acid SCHEMBL3178761 | 0.70 | NOS1 (0.46) | GABRA1GABRA5GABRB2GABRR1GABRA4 |
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-1124734-A | Thiazine- or thiazepine-derivatives | JAPAN TOBACCO INC (JP) | 1996-06-19 | — | — | CN | claimed |
| CN-1124734-A | Thiazine- or thiazepine-derivatives | JAPAN TOBACCO INC (JP) | 1996-06-19 | — | — | CN | disclosed |