Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL26579404 | 0.81 | CNR2 (0.36) | DPP4CNR2PARP1PARP2KDM4E | |
| SCHEMBL24306468 | 0.73 | CNR2 (0.48) | CNR2KDM4E | |
| SCHEMBL26579398 | 0.69 | CNR2 (0.40) | CNR2 | |
| SCHEMBL26761483 | 0.67 | TP53 (0.40) | CNR2PARP1PARP2KDM4E | |
| SCHEMBL29370739 | 0.66 | PARP1 (0.46) | GABRA1PARP1PARP2KDM4E | |
| SCHEMBL4572050 | 0.65 | HPGD (0.33) | DPP4GABRA1KDM4E | |
| SCHEMBL17141584 | 0.65 | DPP4 (0.33) | DPP4PARP1PARP2KDM4E | |
| SCHEMBL23460345 | 0.65 | CNR2 (0.47) | CNR2 | |
| SCHEMBL26579401 | 0.64 | KDM4E (0.36) | CNR2PARP1PARP2KDM4E | |
| SCHEMBL24305866 | 0.64 | CNR2 (0.48) | CNR2KDM4E |
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-106146383-A | A kind of iso-indoles alkaloid compound, its preparation method and application in Nicotiana tabacum L. | 云南中烟工业有限责任公司 | 2016-11-23 | — | — | CN | claimed |
| CN-106146383-A | A kind of iso-indoles alkaloid compound, its preparation method and application in Nicotiana tabacum L. | 云南中烟工业有限责任公司 | 2016-11-23 | — | — | CN | disclosed |