Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4582621 | 0.87 | ESR1 (0.57) | ESR1RECQLTSHRCA1CA2 | |
| Ethylene SCHEMBL4583799 | 0.83 | ESR1 (0.53) | ESR1RECQLTSHRCA1CA2 | |
| SCHEMBL19795495 | 0.79 | ESR1 (0.65) | ESR1RECQLTSHRCA1CA2 | |
| SCHEMBL17367967 | 0.79 | ESR1 (0.63) | ESR1RECQLTSHRCA1CA2 | |
| SCHEMBL13291852 | 0.79 | ESR1 (0.63) | ESR1RECQLTSHRCA1CA2 | |
| SCHEMBL8567444 | 0.77 | ESR1 (0.45) | ESR1RECQLTSHRCA1CA2 | |
| SCHEMBL12972082 | 0.77 | ESR1 (0.49) | ESR1RECQLTSHRCA1CA2 | |
| SCHEMBL522911 | 0.77 | ESR1 (0.67) | ESR1TSHRCA1CA2ALDH1A1 | |
| SCHEMBL27554367 | 0.77 | ESR1 (0.52) | ESR1RECQLTSHRCA1CA2 | |
| SCHEMBL17367633 | 0.76 | ESR1 (0.83) | ESR1RECQLTSHRCA1CA2 |
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-101316810-A | Ionic liquids | BIONIQS LTD (GB) | 2008-12-03 | — | — | CN | disclosed |