Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30586470 | 1.00 | HPGD (0.42) | HPGDPPARGPPARACES2CES1 | |
| SCHEMBL28338562 | 0.83 | DAO (0.46) | HPGDPPARGPPARACES2CES1 | |
| SCHEMBL4092933 | 0.78 | CYP3A4 (0.50) | ESR1ESR2ALDH1A1 | |
| SCHEMBL18037095 | 0.76 | WDR5 (0.47) | KMT2APARP1MAOB | |
| SCHEMBL9965355 | 0.76 | LMNA (0.53) | KMT2AALDH1A1 | |
| SCHEMBL3361606 | 0.76 | KMT2A (0.44) | NPC1RAB9AKMT2APARP1MRGPRX4 | |
| SCHEMBL28437450 | 0.76 | CES2 (0.50) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL1961835 | 0.76 | ALDH1A1 (0.50) | MEN1KMT2AATMALDH1A1MAOB | |
| SCHEMBL7867649 | 0.74 | ALDH1A1 (0.39) | CES2CES1DAOKMT2AATM | |
| SCHEMBL33156 | 0.73 | LTA4H (0.41) | HPGDATMALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110437280-B | Novel method for preparing 2 '-iodo [1, 1' -biaryl ] -2-organic phosphonate compound | 湖南理工学院 | 2021-09-07 | — | — | CN | disclosed |
| CN-110590835-A | Method for preparing 2-iodo-1-phosphoryl substituted alkane compound by high-efficiency double functionalization of olefin | 湖南理工学院 | 2019-12-20 | — | — | CN | disclosed |
| CN-110437280-A | A kind of new method preparing 2 '-iodos [1,1 '-biaryl] -2- organic phosphonate compounds | HUNAN INST SCIENCE & TECH | 2019-11-12 | — | — | CN | disclosed |