Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3918783 | 1.00 | TYR (0.37) | TYRPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL3920357 | 0.98 | TYR (0.34) | TYRPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL31465094 | 0.77 | ALDH1A1 (0.40) | ALDH1A1KDM4EHSD17B10THRBALDH1A2 | |
| SCHEMBL10494227 | 0.75 | TYR (0.41) | TYRALDH1A1 | |
| SCHEMBL19520719 | 0.74 | TYR (0.40) | TYRPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL14389463 | 0.72 | MAPT (0.35) | ALDH1A1ALDH1A2ALDH2ALDH1B1ALDH1A3 | |
| SCHEMBL3923690 | 0.71 | PTGS2 (0.38) | PTGS2ALDH1A1TP53CYP3A4THRB | |
| SCHEMBL3923919 | 0.71 | THRB (0.35) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL3930085 | 0.69 | MAPT (0.36) | ALDH1A1KDM4EALDH1A2ALDH2ALDH1B1 | |
| SCHEMBL3919456 | 0.69 | ALDH1A1 (0.36) | TYRPTGS2ESR1ADRA2AADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2027101-A1 | TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES | Symrise GmbH & Co. KG (DE) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007131834-A1 | TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES | SYMRISE GMBH & CO. KG (DE) | 2007-11-22 | — | — | WO | disclosed |