Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.60 |
| ▸ | SLC7A5 | Q01650 | 6/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | EGFR | P00533 | 1/20 | 0.58 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | KDM6B | O15054 | 1/20 | 0.46 |
| ▸ | ERCC1 | P07992 | 2/20 | 0.45 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16944293 | 0.85 | SLC7A5 (0.55) | ESR1ESR2SLC7A5PTGS1MAPT | |
| SCHEMBL11508934 | 0.85 | KDM4E (0.67) | ESR1SLC7A5KDM4EUSP2EGFR | |
| SCHEMBL11440820 | 0.82 | SLC7A5 (0.63) | SLC7A5KDM4EUSP2EGFRLCK | |
| SCHEMBL31453291 | 0.82 | SLC7A5 (0.63) | SLC7A5KDM4EUSP2EGFRLCK | |
| SCHEMBL1070495 | 0.82 | SLC7A5 (0.63) | SLC7A5KDM4EUSP2EGFRLCK | |
| Hydrochloric Acid SCHEMBL4126484 | 0.81 | SLC7A5 (0.61) | SLC7A5KDM4EUSP2EGFRLCK | |
| Hydrochloric Acid SCHEMBL4188588 | 0.81 | SLC7A5 (0.61) | SLC7A5KDM4EUSP2EGFRLCK | |
| SCHEMBL1893385 | 0.81 | SLC7A5 (0.55) | ESR1ESR2SLC7A5KDM4EUSP2 | |
| SCHEMBL28726263 | 0.80 | SLC7A5 (0.63) | ESR1SLC7A5KDM4EUSP2EGFR | |
| SCHEMBL8740352 | 0.79 | SLC7A5 (0.58) | ESR1SLC7A5KDM4EUSP2EGFR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6258854-B1 | KETONE ETHERS FOR ODORS | GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) | 2001-07-10 | — | — | US | disclosed |
| CN-1248569-A | Novel ketone | GIVAUDAN ROURE INTERNATION SA (CH) | 2000-03-29 | — | — | CN | disclosed |
| EP-0983990-A2 | Ketones useful as precursors for organoleptic compounds | Givaudan Roure (International) S.A. (CH) | 2000-03-08 | — | — | EP | disclosed |