Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 2/20 | 0.46 |
| ▸ | PGK2 | P07205 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TYR | P14679 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | ESRRG | P62508 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14066332 | 0.78 | PGK1 (0.50) | PGK1PGK2CA12PTPN1PTPN2 | |
| SCHEMBL9496455 | 0.78 | PGK1 (0.44) | PGK1PGK2KDM4EMEN1KMT2A | |
| SCHEMBL1766233 | 0.77 | PTPN1 (0.62) | PGK1PGK2CA2CA4CA5A | |
| SCHEMBL1148688 | 0.76 | PGK1 (0.43) | PGK1PGK2KDM4EMEN1KMT2A | |
| SCHEMBL8999640 | 0.76 | ESR1 (0.52) | PGK1PGK2KDM4EMEN1KMT2A | |
| Water SCHEMBL5163061 | 0.76 | PGK1 (0.43) | PGK1PGK2KDM4EMEN1KMT2A | |
| Hydroquinone SCHEMBL329315 | 0.74 | CA12 (0.61) | KDM4EMEN1KMT2AESR1ESR2 | |
| Hydroquinone SCHEMBL131228 | 0.74 | CA12 (0.61) | KDM4EMEN1KMT2AESR1ESR2 | |
| Phosphoric Acid SCHEMBL10743913 | 0.73 | LMNA (0.76) | KDM4EMEN1KMT2AESR1ESR2 | |
| Bisphenol A SCHEMBL9280917 | 0.73 | ESR1 (0.76) | KDM4EMEN1KMT2AESR1ESR2 |
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-113316598-A | Beta-hydroxy phosphonate functionalized polyols | 陶氏环球技术有限责任公司 | 2021-08-27 | — | — | CN | disclosed |