Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 2/20 | 0.36 |
| ▸ | PGK2 | P07205 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 5/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17583208 | 0.92 | KIF11 (0.46) | CES2CES1ORAI1ORAI2ORAI3 | |
| SCHEMBL17583204 | 0.89 | KCNN4 (0.41) | CES2CES1ORAI1ORAI2ORAI3 | |
| SCHEMBL27551686 | 0.89 | ESR1 (0.52) | ESR1ESR2KIF11AR | |
| SCHEMBL11579 | 0.87 | CA1 (0.42) | CES2CES1PTPN1GSK3B | |
| SCHEMBL17080489 | 0.87 | TRPV1 (0.39) | PGK1PGK2ESR1ESR2NR1H2 | |
| SCHEMBL14621176 | 0.87 | TSHR (0.44) | NR1H2NR1H3KIF11 | |
| SCHEMBL14559514 | 0.87 | LMNA (0.48) | KIF11 | |
| SCHEMBL8585123 | 0.87 | MEN1 (0.44) | — | |
| SCHEMBL507483 | 0.86 | TSHR (0.50) | PGK1PGK2CES1KIF11PTPN1 | |
| SCHEMBL28181235 | 0.85 | KCNN4 (0.39) | — |
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-2395040-A1 | FLUORINATED DICARBOXYLIC ACID DERIVATIVE AND POLYMER OBTAINED THEREFROM | Central Glass Company, Limited (JP) | 2011-12-14 | — | — | EP | disclosed |