Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.60 |
| ▸ | TYR | P14679 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | IAPP | P10997 | 4/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL19337400 | 1.00 | CNR2 (0.60) | CNR2TYRESR1ESR2AKR1B10 | |
| SCHEMBL1824019 | 0.90 | LCK (0.54) | ESR1ESR2AKR1B10AKR1B1AKR1C3 | |
| SCHEMBL1824017 | 0.90 | LCK (0.54) | ESR1ESR2AKR1B10AKR1B1AKR1C3 | |
| SCHEMBL28738105 | 0.85 | CNR2 (0.55) | CNR2TYRIAPPPTGS1LCK | |
| SCHEMBL16867064 | 0.85 | CNR2 (0.60) | CNR2TYRAKR1B10AKR1B1AKR1C3 | |
| SCHEMBL1821929 | 0.83 | NQO2 (0.60) | TYRESR1ESR2AKR1B10AKR1B1 | |
| SCHEMBL1821927 | 0.83 | NQO2 (0.60) | TYRESR1ESR2AKR1B10AKR1B1 | |
| SCHEMBL9288196 | 0.82 | CNR2 (0.53) | CNR2TYRIAPPPTGS1PTGS2 | |
| SCHEMBL28388536 | 0.80 | ALDH1A1 (0.44) | CNR2ESR1ESR2AKR1B10AKR1B1 | |
| SCHEMBL22296492 | 0.80 | GABRA1 (0.58) | CNR2TYRAKR1B10AKR1B1AKR1C3 |
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-114401974-A | Process for preparing alkoxy-functional organosilicon compounds | 美国陶氏有机硅公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-114375314-A | Process for preparing alkoxy-functional organosiloxane compounds | 美国陶氏有机硅公司 | 2022-04-19 | — | — | CN | disclosed |