Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 7/20 | 0.53 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.53 |
| ▸ | GABRA2 | P47869 | 7/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 7/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PTAFR | P25105 | 1/20 | 0.34 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11864727 | 0.89 | GABRA1 (0.39) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL19006763 | 0.81 | GABRA2 (0.47) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11863756 | 0.81 | GABRA1 (0.44) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11829888 | 0.79 | GABRA1 (0.40) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11861578 | 0.76 | TDP1 (0.41) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11831222 | 0.75 | GABRA1 (0.48) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11865356 | 0.75 | GABRA1 (0.80) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11824906 | 0.74 | GABRA5 (0.51) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11715269 | 0.74 | CYP1A2 (0.42) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11867708 | 0.74 | GABRA1 (0.38) | GABRA1GABRA5GABRA2GABRB2GABRA3 |
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-3996230-A | 1-Piperazino-6-(2-pyridyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepines | THE UPJOHN COMPANY (US) | 1976-12-07 | — | — | US | disclosed |