Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL28254947 | 0.88 | KDM4E (0.52) | CES2CES1CA1CA2ALDH1A1 | |
| SCHEMBL17853888 | 0.85 | TSHR (0.41) | ALDH1A1KDM4EMAPTTSHRHPGD | |
| SCHEMBL14040096 | 0.82 | CES2 (0.52) | CES2CES1CA1CA2ALDH1A1 | |
| SCHEMBL28505006 | 0.81 | RAB9A (0.41) | ALDH1A1MAPTHPGDMEN1KMT2A | |
| SCHEMBL256587 | 0.81 | ALDH1A1 (0.45) | CES2CES1ALDH1A1KDM4EHPGD | |
| SCHEMBL10943813 | 0.81 | CES2 (0.39) | CES2CES1 | |
| SCHEMBL6696391 | 0.81 | SRD5A2 (0.39) | ALDH1A1KDM4EMAPTTSHRHPGD | |
| SCHEMBL4611297 | 0.81 | GSK3B (0.51) | CES2CES1CA1CA2ALDH1A1 | |
| SCHEMBL14040099 | 0.81 | CES2 (0.50) | CES2CES1CA1CA2ALDH1A1 | |
| SCHEMBL10384839 | 0.81 | CES2 (0.50) | CES2CES1CA1CA2ALDH1A1 |
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-109369406-B | Photocatalytic synthesis method and application of 1-hydroxycyclohexyl phenyl ketone compound | 甘肃金盾化工有限责任公司 | 2021-12-14 | — | — | CN | disclosed |