Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 5/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 3/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12092900 | 0.82 | TSHR (0.46) | GABRA5CCR1CCR8HSD17B3NOS3 | |
| SCHEMBL8234821 | 0.81 | GABRA5 (0.41) | GABRA5CCR1CCR8HSD17B3NOS3 | |
| SCHEMBL130392 | 0.79 | MAPK8 (0.50) | GABRA5CCR1CCR8NOS3NOS2 | |
| SCHEMBL29929586 | 0.78 | HTR7 (0.57) | GABRA5GRM5PTPN1HTR7 | |
| SCHEMBL19436605 | 0.78 | HTR7 (0.57) | GABRA5GRM5PTPN1HTR7 | |
| SCHEMBL18137723 | 0.78 | GABRA5 (0.44) | GABRA5CCR1CCR8HSD17B3NOS3 | |
| SCHEMBL15629190 | 0.78 | NOS3 (0.45) | GABRA5CCR1CCR8HSD17B3NOS3 | |
| SCHEMBL128705 | 0.76 | — | — | |
| SCHEMBL29687348 | 0.76 | — | — | |
| SCHEMBL12093742 | 0.76 | GRM5 (0.48) | GABRA5CCR1CCR8HSD17B3NOS3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105745214-B | Tricyclic piperidine compounds | 埃科特莱茵药品有限公司 | 2019-02-19 | — | — | CN | disclosed |