Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 7/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.39 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 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 | |
|---|---|---|---|---|
| SCHEMBL10288352 | 0.87 | NOS3 (0.44) | SIRT2NOS3NOS2GLSALDH1A1 | |
| SCHEMBL13185361 | 0.80 | NOS3 (0.47) | NOS3NOS2GLSALDH1A1GAA | |
| SCHEMBL10254409 | 0.79 | ADRB2 (0.56) | NOS3NOS2GLSALDH1A1GAA | |
| SCHEMBL21503646 | 0.78 | CYP2D6 (0.52) | NOS3NOS2ALDH1A1GAAL3MBTL1 | |
| SCHEMBL2616106 | 0.78 | NOS3 (0.52) | NOS3NOS2GLSALDH1A1GAA | |
| SCHEMBL26913694 | 0.77 | NOS3 (0.47) | NOS3NOS2GLSALDH1A1GAA | |
| SCHEMBL13167405 | 0.76 | TRPV3 (0.45) | NOS3NOS2GLSALDH1A1GAA | |
| SCHEMBL30481847 | 0.76 | KDM1A (0.46) | GLSGAASCN8APOLBMBOAT4 | |
| SCHEMBL24258303 | 0.76 | KDM1A (0.46) | GLSGAASCN8APOLBMBOAT4 | |
| SCHEMBL28283856 | 0.76 | NOS3 (0.46) | NOS3NOS2GLSALDH1A1GAA |
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-3177612-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2022-02-23 | — | — | EP | disclosed |