Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | HTR5A | P47898 | 2/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29746348 | 0.72 | ESR1 (0.50) | ESR1ESR2 | |
| SCHEMBL28462603 | 0.72 | ESR1 (0.50) | ESR1ESR2 | |
| SCHEMBL30542597 | 0.71 | ESR1 (0.45) | ESR1ESR2HTR5AHTR2CHTR2B | |
| SCHEMBL29746029 | 0.69 | PTGS2 (0.43) | ESR1ESR2 | |
| SCHEMBL10536097 | 0.69 | ESR1 (0.67) | ESR1ESR2HTR5AHTR1DHTR2C | |
| SCHEMBL14943839 | 0.68 | AR (0.43) | ESR1ESR2HTR5AHTR1DHTR1B | |
| SCHEMBL336486 | 0.68 | AR (0.43) | ESR1ESR2HTR5AHTR1DHTR1B | |
| SCHEMBL3813452 | 0.68 | AR (0.43) | ESR1ESR2HTR5AHTR1DHTR1B | |
| SCHEMBL29644324 | 0.68 | AR (0.43) | ESR1ESR2HTR5AHTR1DHTR1B | |
| SCHEMBL29746249 | 0.68 | PKM (0.44) | ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4269392-A1 | TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF | Toray Industries, Inc. (JP) | 2023-11-01 | — | — | EP | disclosed |