Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL16716333 | 0.84 | FPR2 (0.39) | HCRTR1CHRNB2CHRNA4 | |
| SCHEMBL21807911 | 0.84 | TDO2 (0.37) | HCRTR1HCRTR2CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL21807928 | 0.84 | DGAT1 (0.39) | HCRTR1HCRTR2KDM4ECHRNB2CHRNA4 | |
| SCHEMBL10078038 | 0.82 | HCRTR1 (0.40) | HCRTR1HCRTR2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL20323923 | 0.79 | HCRTR2 (0.40) | HCRTR1HCRTR2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL23377548 | 0.79 | NOS3 (0.31) | NOS3NOS2 | |
| SCHEMBL23377685 | 0.78 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL20261372 | 0.77 | HCRTR1 (0.44) | HCRTR1HCRTR2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL23377711 | 0.76 | NOS3 (0.31) | NOS3NOS2 | |
| SCHEMBL23167660 | 0.74 | NOS3 (0.38) | HCRTR1HCRTR2KDM4EALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021094312-A1 | PYRROLIDINE AND BICYCLOHETEROARYL CONTAINING OGA INHIBITOR COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2021-05-20 | — | — | WO | disclosed |