Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28814537 | 0.87 | LTB4R (0.48) | PTGS2LTB4RCYP3A4ESR1ADRA2A | |
| SCHEMBL28232953 | 0.87 | LTB4R (0.48) | PTGS2LTB4RCYP3A4ESR1ADRA2A | |
| SCHEMBL8564302 | 0.87 | LTB4R (0.48) | PTGS2LTB4RCYP3A4ESR1ADRA2A | |
| SCHEMBL17707867 | 0.85 | LTB4R (0.45) | PTGS2LTB4RCYP3A4ESR1ADRA2A | |
| SCHEMBL21953264 | 0.83 | PTGS2 (0.39) | PTGS2LTB4RCYP3A4ESR1ADRA2A | |
| SCHEMBL18067897 | 0.78 | PTGS2 (0.46) | PTGS2LTB4RCYP3A4ESR1ADRA2A | |
| SCHEMBL9769122 | 0.78 | PTGS2 (0.37) | PTGS2LTB4RCYP3A4ESR1ADRA2A | |
| SCHEMBL25689016 | 0.77 | HTR2A (0.46) | PTGS2LTB4RCYP3A4HTR2A | |
| SCHEMBL19304386 | 0.76 | PTGS2 (0.38) | PTGS2CYP3A4ALDH1A1GPR35 | |
| SCHEMBL9769129 | 0.76 | PTGS2 (0.38) | PTGS2CYP3A4ALDH1A1GPR35 |
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-104370937-B | The synthetic method and purposes of a kind of containing oxygen group elements and five condensed ring conjugated molecules and its derivative | 浙江华显光电科技有限公司 | 2018-04-10 | — | — | CN | disclosed |