Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28904524 | 0.84 | KDM4E (0.51) | ALDH1A1MEN1KMT2AKDM4EMAPT | |
| SCHEMBL28490064 | 0.84 | KIF11 (0.46) | ESR1ESR2CYP19A1NPSR1HTR2A | |
| SCHEMBL28486475 | 0.82 | HTR2B (0.45) | ESR1ESR2HTR2AKCNH2TUBB4A | |
| SCHEMBL28486502 | 0.82 | KIF11 (0.51) | ESR1ESR2ALDH1A1MEN1KMT2A | |
| SCHEMBL28503266 | 0.82 | CNR1 (0.47) | CYP19A1MEN1KMT2AMAPTCTSV | |
| SCHEMBL28484266 | 0.78 | KIF11 (0.55) | MAPTKCNH2 | |
| SCHEMBL28486474 | 0.78 | BCHE (0.42) | ESR1ESR2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL18787054 | 0.73 | ESR1 (0.87) | ESR1ESR2CYP19A1NPSR1ALDH1A1 | |
| SCHEMBL3929385 | 0.71 | ESR1 (0.63) | ESR1ESR2CYP19A1NPSR1ALDH1A1 | |
| SCHEMBL3864662 | 0.71 | ESR1 (1.00) | ESR1ESR2CYP19A1ALDH1A1KDM4E |
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-111848488-B | Method for synthesizing 3-selenoindole derivative | 温州医科大学 | 2022-12-27 | — | — | CN | disclosed |
| CN-111848488-A | Method for synthesizing 3-selenoindole derivative | 温州医科大学 | 2020-10-30 | — | — | CN | disclosed |