Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.65 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.36 |
| ▸ | WNT1 | P04628 | 1/20 | 0.36 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.35 |
| ▸ | WNT3A | P56704 | 2/20 | 0.35 |
| ▸ | FASN | P49327 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19119121 | 0.90 | PDE4B (0.53) | PDE4BKMOARDYRK1AWNT1 | |
| SCHEMBL17784214 | 0.79 | PDE4B (1.00) | PDE4BDHFR | |
| SCHEMBL17784236 | 0.73 | PDE4B (0.56) | PDE4BALDH1A1KDM4EGLAGAA | |
| SCHEMBL19118463 | 0.70 | PDE4B (0.60) | PDE4B | |
| SCHEMBL16447019 | 0.69 | PDE4B (0.82) | PDE4B | |
| SCHEMBL19118473 | 0.67 | PDE4B (0.54) | PDE4BALDH1A1KDM4EGLAGAA | |
| SCHEMBL29987426 | 0.63 | CTNNB1 (0.63) | KMOCTNNB1WNT3A | |
| SCHEMBL663873 | 0.63 | CTNNB1 (0.63) | KMOCTNNB1WNT3A | |
| SCHEMBL1919332 | 0.62 | MRGPRX4 (0.58) | KMODYRK1ACTNNB1WNT3AGAA | |
| SCHEMBL2254908 | 0.59 | CTNNB1 (0.68) | ARCTNNB1WNT3A |
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-3030565-B1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2017-07-19 | — | — | EP | disclosed |