Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 16/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 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 | |
|---|---|---|---|---|
| SCHEMBL22650573 | 0.89 | LIPE (0.35) | GPR119SCN9ASCN10AROCK2LIPE | |
| SCHEMBL22650412 | 0.87 | SPR (0.38) | GPR119ROCK2 | |
| SCHEMBL29491165 | 0.87 | SPR (0.38) | GPR119ROCK2 | |
| SCHEMBL22650572 | 0.81 | CCR5 (0.38) | CCR5GPR119LIPE | |
| SCHEMBL22650562 | 0.81 | PIK3CA (0.35) | — | |
| SCHEMBL29462389 | 0.77 | ALOX5AP (0.37) | — | |
| SCHEMBL22650368 | 0.77 | ALOX5AP (0.37) | — | |
| SCHEMBL22650570 | 0.76 | LIPE (0.37) | CCR5GPR119ROCK2LIPE | |
| SCHEMBL22650910 | 0.76 | DRD3 (0.35) | ROCK2 | |
| SCHEMBL18291712 | 0.75 | CKS1B (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |