Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TYMP | P19971 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28344147 | 0.83 | OPRM1 (0.39) | PTPN1PTPN11PTPN2OPRM1OPRD1 | |
| SCHEMBL28344148 | 0.76 | CYP19A1 (0.45) | OPRM1OPRD1OPRK1 | |
| SCHEMBL9744278 | 0.74 | CYP3A4 (0.39) | PTPN1PTPN11PTPN2MEN1CYP3A4 | |
| SCHEMBL9744284 | 0.74 | CYP3A4 (0.39) | PTPN1PTPN11PTPN2MEN1CYP3A4 | |
| SCHEMBL28266635 | 0.71 | PTPN2 (0.35) | PTPN1PTPN11PTPN2 | |
| SCHEMBL10584572 | 0.71 | TTR (0.42) | MEN1KMT2ATYMP | |
| SCHEMBL31545689 | 0.70 | PTPN1 (0.49) | PTPN1PTPN11PTPN2MEN1CYP3A4 | |
| SCHEMBL31545033 | 0.69 | LCK (0.54) | PTPN1PTPN11PTPN2MEN1CYP3A4 | |
| SCHEMBL21815453 | 0.68 | PTPN1 (0.61) | PTPN1PTPN11PTPN2MEN1CYP3A4 | |
| SCHEMBL9245161 | 0.67 | FASN (0.39) | MEN1CYP3A4PTGS1DRD3KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106496171-B | Polycyclic polyisocyanate pentenyl phloroglucinol derivatives compound, preparation method and application with anti-tumor activity | 贵州省中国科学院天然产物化学重点实验室 | 2019-09-13 | — | — | CN | claimed |
| CN-110511202-A | Polycyclic polyisocyanate pentenyl acyl phloroglucinol class compound and the preparation method and application thereof | UNIV XIAMEN | 2019-11-29 | — | — | CN | disclosed |
| CN-106496171-B | Polycyclic polyisocyanate pentenyl phloroglucinol derivatives compound, preparation method and application with anti-tumor activity | 贵州省中国科学院天然产物化学重点实验室 | 2019-09-13 | — | — | CN | disclosed |
| CN-106496171-B | Polycyclic polyisocyanate pentenyl phloroglucinol derivatives compound, preparation method and application with anti-tumor activity | 贵州省中国科学院天然产物化学重点实验室 | 2019-09-13 | — | — | CN | disclosed |
| CN-106496171-B | Polycyclic polyisocyanate pentenyl phloroglucinol derivatives compound, preparation method and application with anti-tumor activity | 贵州省中国科学院天然产物化学重点实验室 | 2019-09-13 | — | — | CN | disclosed |
| CN-107118126-B | PPAP imine compound and preparation method thereof, pharmaceutical composition and purposes | 上海中医药大学 | 2019-08-13 | — | — | CN | disclosed |
| CN-109020945-A | A kind of different gamboge amphyl, preparation method and application | 贵州省中国科学院天然产物化学重点实验室 | 2018-12-18 | — | — | CN | disclosed |