Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28864592 | 1.00 | HSD17B10 (0.48) | HSD17B10PDK1HRH3DRD4ADORA2A | |
| SCHEMBL12226473 | 0.84 | PDK1 (0.44) | PDK1HRH3DRD4ADORA2AADORA1 | |
| SCHEMBL6966556 | 0.84 | HSD17B10 (0.47) | HSD17B10PDK1DRD4GLADRD2 | |
| SCHEMBL12226471 | 0.84 | PDK1 (0.44) | PDK1HRH3DRD4ADORA2AADORA1 | |
| SCHEMBL12226474 | 0.84 | PDK1 (0.44) | PDK1HRH3DRD4ADORA2AADORA1 | |
| SCHEMBL23299347 | 0.81 | HSD17B10 (0.44) | HSD17B10PDK1DRD4DRD2DRD3 | |
| SCHEMBL27687249 | 0.80 | PDK1 (0.46) | PDK1HRH3DRD4ADORA2AADORA1 | |
| SCHEMBL28153145 | 0.80 | PDK1 (0.46) | PDK1HRH3DRD4ADORA2AADORA1 | |
| SCHEMBL27687247 | 0.80 | PDK1 (0.46) | PDK1HRH3DRD4ADORA2AADORA1 | |
| SCHEMBL9281464 | 0.79 | HSD17B10 (0.54) | HSD17B10DRD4GLADRD2DRD3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102656179-A | Bufalin derivatives, pharmaceutical compositions and uses thereof | SUZHOU NEUPHARMA CO LTD | 2012-09-05 | — | — | CN | claimed |
| WO-2012027957-A1 | BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | SUZHOU NEUPHARMA CO., LTD. (CN) | 2012-03-08 | — | — | WO | claimed |
| CN-102656179-B | Bufalin derivatives, pharmaceutical compositions and uses thereof | SUZHOU NEUPHARMA Co.,Ltd. (CN) | 2015-07-29 | — | — | CN | disclosed |
| CN-102656179-A | Bufalin derivatives, pharmaceutical compositions and uses thereof | SUZHOU NEUPHARMA CO LTD | 2012-09-05 | — | — | CN | disclosed |