Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 4/20 | 0.37 |
| ▸ | CNR2 | P34972 | 3/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | LYN | P07948 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18988464 | 0.86 | ESR1 (0.40) | ESR1ADAMTS5CNR1CNR2LCK | |
| SCHEMBL854856 | 0.73 | ALDH1A1 (0.37) | HPGD | |
| SCHEMBL2076094 | 0.73 | RECQL (0.53) | PTGS2 | |
| SCHEMBL29957438 | 0.72 | SRC (0.42) | HPGDPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL15329817 | 0.72 | RECQL (0.37) | PTGS2PARP1 | |
| SCHEMBL853226 | 0.72 | ALDH1A1 (0.39) | HPGDCNR2 | |
| SCHEMBL11728399 | 0.72 | SMN1; SMN2 (0.50) | PTGS2 | |
| SCHEMBL853448 | 0.72 | ALDH1A1 (0.39) | HPGDCNR2 | |
| SCHEMBL29957458 | 0.72 | — | — | |
| SCHEMBL29953135 | 0.70 | ADAMTS5 (0.38) | ADAMTS5 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |