Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.50 |
| ▸ | PDE5A | O76074 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PDE1A | P54750 | 2/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.41 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2786872 | 0.89 | GAA (0.53) | PDE5AKDM4EGAAMAPTMEN1 | |
| SCHEMBL11091142 | 0.86 | PDE5A (0.46) | PDE5AKDM4EGAAMAPTMEN1 | |
| SCHEMBL10756603 | 0.86 | PDE5A (0.46) | PDE5AKDM4EGAAMAPTMEN1 | |
| SCHEMBL2786880 | 0.84 | TP53 (0.59) | GAAMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL27481508 | 0.83 | PDE5A (0.43) | PDE5AKDM4EGAAMAPTMEN1 | |
| SCHEMBL10464685 | 0.82 | PDE5A (0.41) | PDE5AKDM4EGAAMAPTMEN1 | |
| SCHEMBL17596693 | 0.80 | SCD (0.41) | PDE5AKDM4EGAAMAPTMEN1 | |
| SCHEMBL6584892 | 0.80 | SMN1; SMN2 (0.45) | PDE5AKDM4EGAAMAPTMEN1 | |
| SCHEMBL27815401 | 0.79 | NPC1 (0.51) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL10437870 | 0.79 | PDE5A (0.39) | PDE5AKDM4EGAAMAPTMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114213433-B | Process for the preparation of C-3 tetrahydrofuran substituted cephalosporin-siderophore conjugates | 重庆医药高等专科学校 | 2023-03-24 | — | — | CN | disclosed |
| CN-114213433-A | Process for the preparation of C-3 tetrahydrofuran substituted cephalosporin-siderophore conjugates | 重庆医药高等专科学校 | 2022-03-22 | — | — | CN | disclosed |