Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.36 |
| ▸ | PGK1 | P00558 | 3/20 | 0.36 |
| ▸ | PGK2 | P07205 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25169259 | 0.73 | CA2 (0.42) | CA2CA4CA5A | |
| SCHEMBL28100899 | 0.72 | L3MBTL1 (0.51) | TRPV4HDAC4CA2CA4CA5A | |
| SCHEMBL8607426 | 0.71 | CA2 (0.41) | CA2CA4CA5A | |
| SCHEMBL13459606 | 0.69 | HDAC1 (0.46) | CA2CA4CA5A | |
| SCHEMBL30395883 | 0.69 | TRPV4 (0.48) | TRPV4KCNH2HDAC4MRGPRX4 | |
| SCHEMBL29918406 | 0.69 | TRPV4 (0.58) | TRPV4KCNH2HDAC4MAP4K4PIK3CA | |
| SCHEMBL4068683 | 0.69 | PGK1 (0.50) | PGK1PGK2CA2CA4CA5A | |
| Hydrochloric Acid SCHEMBL5125109 | 0.68 | TRPV4 (0.47) | TRPV4KCNH2HDAC4MRGPRX4 | |
| Methane SCHEMBL28516008 | 0.67 | TRPV4 (0.56) | TRPV4KCNH2HDAC4MAP4K4PIK3CA | |
| SCHEMBL29418677 | 0.67 | L3MBTL1 (0.57) | TRPV4CYP2C9MRGPRX4 |
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-105968136-A | Preparation method of aromatic phosphonate compound | 北京大学 | 2016-09-28 | — | — | CN | disclosed |