Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SHBG | P04278 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Nonane SCHEMBL2929762 | 0.91 | ALDH1A1 (0.47) | ESR1ALDH1A1CYP3A4EP300KAT5 | |
| SCHEMBL5319451 | 0.84 | KAT8 (0.52) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL31528718 | 0.84 | KAT8 (0.52) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| Butane SCHEMBL28812907 | 0.83 | ALDH1A1 (0.52) | ESR1SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| Phenol SCHEMBL27682263 | 0.83 | ESR1 (0.54) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| Ethylbenzene SCHEMBL2927118 | 0.82 | TP53 (0.48) | ESR1ALDH1A1TP53CYP3A4 | |
| SCHEMBL19056632 | 0.81 | PTGS2 (0.47) | KCNH2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11645702 | 0.79 | ALDH1A1 (0.60) | ESR1SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL51085 | 0.79 | ALDH1A1 (0.60) | ESR1SLC6A2SLC6A4SLC6A3KDM4E | |
| Benzene SCHEMBL11421230 | 0.79 | ALDH1A1 (0.60) | ESR1SLC6A2SLC6A4SLC6A3KDM4E |
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-2275405-A1 | PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE | Asahi Kasei Chemicals Corporation (JP) | 2011-01-19 | — | — | EP | disclosed |