Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.56 |
| ▸ | TDO2 | P48775 | 1/20 | 0.56 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.54 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.54 |
| ▸ | ESR1 | P03372 | 4/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.52 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.52 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | PLAU | P00749 | 1/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29396905 | 0.91 | CYP1A2 (0.61) | IDO1TDO2HSD17B1HSD17B2ESR1 | |
| SCHEMBL125037 | 0.91 | CYP1A2 (0.61) | IDO1TDO2HSD17B1HSD17B2ESR1 | |
| SCHEMBL30921731 | 0.91 | CYP1A2 (0.61) | IDO1TDO2HSD17B1HSD17B2ESR1 | |
| SCHEMBL31320821 | 0.89 | CYP1A2 (0.58) | IDO1TDO2HSD17B1HSD17B2ESR1 | |
| SCHEMBL21903469 | 0.89 | CYP1A2 (0.58) | IDO1TDO2HSD17B1HSD17B2ESR1 | |
| SCHEMBL3316198 | 0.89 | CYP1A2 (0.58) | IDO1TDO2HSD17B1HSD17B2ESR1 | |
| SCHEMBL217547 | 0.89 | CYP1A2 (0.58) | IDO1TDO2HSD17B1HSD17B2ESR1 | |
| SCHEMBL10482344 | 0.89 | CYP1A2 (0.58) | IDO1TDO2HSD17B1HSD17B2ESR1 | |
| SCHEMBL30996771 | 0.89 | CYP1A2 (0.58) | IDO1TDO2HSD17B1HSD17B2ESR1 | |
| SCHEMBL28694534 | 0.89 | CYP1A2 (0.58) | IDO1TDO2HSD17B1HSD17B2ESR1 |
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-100488923-C | Double-spiro organic compound and electroluminescent device | LG CHEMICAL LTD (KR) | 2009-05-20 | — | — | CN | disclosed |
| CN-1462303-A | Double-spiro organic compound and electroluminescent device | LG CHEMICAL LTD (KR) | 2003-12-17 | — | — | CN | disclosed |