Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 4/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | HNF4A | P41235 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28111394 | 1.00 | KDM1A (0.58) | KDM1ATRPA1NPC1MTORPTPN1 | |
| SCHEMBL13339166 | 0.79 | TRPA1 (0.65) | TRPA1PTPN1AHRTTRALOX5 | |
| SCHEMBL28111407 | 0.77 | KDM1A (0.58) | KDM1ATRPA1AHRPTGS1NFE2L2 | |
| SCHEMBL28111408 | 0.77 | KDM1A (0.58) | KDM1ATRPA1AHRPTGS1NFE2L2 | |
| SCHEMBL28111445 | 0.76 | KDM1A (0.61) | KDM1ATRPA1NPC1MTORPTPN1 | |
| SCHEMBL9914785 | 0.76 | NPC1 (0.69) | TRPA1NPC1MTORPTPN1APP | |
| SCHEMBL27524390 | 0.76 | TRPA1 (0.60) | TRPA1PTPN1MAPTHNF4A | |
| SCHEMBL919201 | 0.74 | AKR1C3 (0.62) | TRPA1NPC1MTORPTPN1AHR | |
| SCHEMBL28194187 | 0.74 | TRPA1 (0.59) | TRPA1PTPN1AHRTTRALOX5 | |
| SCHEMBL7139129 | 0.74 | TRPA1 (0.59) | TRPA1PTPN1AHRTTRALOX5 |
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-106045881-A | Resveratrol derivative, preparation method thereof and application of resveratrol derivative serving as LSD1 inhibitor | 新乡医学院 | 2016-10-26 | — | — | CN | disclosed |