Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.55 |
| ▸ | KIF11 | P52732 | 8/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | TACR2 | P21452 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SHBG | P04278 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9164873 | 1.00 | ESR1 (0.55) | ESR1ESR2KIF11ALDH1A1CYP3A4 | |
| SCHEMBL3137055 | 0.95 | ESR2 (0.61) | ESR1ESR2KIF11ALDH1A1CYP3A4 | |
| SCHEMBL6743316 | 0.93 | ESR1 (0.62) | ESR1ESR2ALDH1A1CYP3A4ADRA2A | |
| SCHEMBL6743890 | 0.91 | ESR1 (0.60) | ESR1ESR2ALDH1A1CYP3A4ADRA2A | |
| SCHEMBL1691543 | 0.91 | ESR1 (0.60) | ESR1ESR2ALDH1A1CYP3A4ADRA2A | |
| SCHEMBL6744335 | 0.91 | ESR1 (0.60) | ESR1ESR2ALDH1A1CYP3A4ADRA2A | |
| SCHEMBL3835118 | 0.89 | KIF11 (0.59) | KIF11CYP3A4KCNH2SIGMAR1 | |
| SCHEMBL312177 | 0.87 | ESR1 (0.59) | ESR1ESR2KIF11ALDH1A1CYP3A4 | |
| SCHEMBL28757107 | 0.87 | ESR1 (0.59) | ESR1ESR2KIF11ALDH1A1CYP3A4 | |
| SCHEMBL3020449 | 0.87 | ESR1 (0.70) | ESR1ESR2ALDH1A1CYP3A4ADRA2A |
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-105144840-A | Organic electroluminescent display device and method of manufacturing the same | KONICA MINOLTA INC | 2015-12-09 | — | — | CN | disclosed |