Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.36 |
| ▸ | CDK1 | P06493 | 3/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28253381 | 0.88 | ESR1 (0.52) | ESR1ESR2ALDH1A1GPR3HSD17B10 | |
| SCHEMBL28254285 | 0.82 | KDM4E (0.50) | ALDH1A1HSD17B10PTGS2KDM4EMAPT | |
| SCHEMBL28254237 | 0.77 | CTSV (0.53) | ALDH1A1HSD17B10CYP19A1KDM4EMAPT | |
| SCHEMBL28254268 | 0.76 | HTR6 (0.47) | ESR1ESR2CCNB2CDK1CCNB1 | |
| SCHEMBL28253407 | 0.75 | KDM4E (0.44) | ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL28855249 | 0.73 | KIF11 (0.49) | ESR1ESR2ALDH1A1HSD17B10PTGS2 | |
| SCHEMBL27461860 | 0.73 | AHR (0.52) | ALDH1A1GPR3HSD17B10NPSR1KDM4E | |
| SCHEMBL27443528 | 0.67 | MAP2 (0.53) | ALDH1A1KDM4E | |
| SCHEMBL28456187 | 0.66 | TUBB4A (0.52) | ESR1ESR2ALDH1A1KDM4EMAPT | |
| Carbazole SCHEMBL28084583 | 0.64 | ALDH1A1 (0.70) | ESR1ESR2ALDH1A1GPR3HSD17B10 |
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-108863894-A | A kind of method of the direct synthesis of indole of nitrile | 中国科学技术大学 | 2018-11-23 | — | — | CN | disclosed |