Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 9/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 9/20 | 0.50 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4026905 | 0.81 | CHRNB4 (0.47) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL28303398 | 0.81 | CHRNB4 (0.50) | CHRNB4CHRNA3NISCHKIF11ALDH1A1 | |
| SCHEMBL9583820 | 0.79 | CHRNB4 (0.57) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL24414772 | 0.78 | CHRNB4 (0.55) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL27584798 | 0.75 | ALDH1A1 (0.60) | CHRNB4CHRNA3NISCHALDH1A1CYP1A2 | |
| SCHEMBL15665457 | 0.74 | CHRNB4 (0.55) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL4693339 | 0.74 | CHRNB4 (0.55) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL27928338 | 0.74 | CHRNB4 (0.55) | CHRNB4CHRNA3NISCHALDH1A1CYP1A2 | |
| SCHEMBL3574404 | 0.74 | CHRNB4 (0.55) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB | |
| SCHEMBL2045328 | 0.74 | CHRNB4 (0.57) | CHRNB4CHRNA3ALDH1A1CYP1A2THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3177611-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2021-10-06 | — | — | EP | disclosed |