Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 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 | |
|---|---|---|---|---|
| SCHEMBL3030351 | 0.85 | ALDH1A1 (0.52) | GAAALDH1A1POLBTHRBPIM1 | |
| SCHEMBL6518415 | 0.84 | CHEK1 (0.49) | GAACHEK1PIM1MAPK8EPHX2 | |
| SCHEMBL8664802 | 0.83 | ALDH1A1 (0.48) | GAAALDH1A1POLBTHRBPIM1 | |
| SCHEMBL30294755 | 0.82 | ALDH1A1 (0.50) | GAAALDH1A1POLBTHRBEPHX2 | |
| SCHEMBL22092981 | 0.81 | DGAT1 (0.51) | GAACHEK1PIM1DGAT1MAPK8 | |
| SCHEMBL2314619 | 0.81 | CHEK1 (0.47) | GAAALDH1A1CHEK1PIM1MAPK8 | |
| SCHEMBL30236136 | 0.81 | CHEK1 (0.47) | GAAALDH1A1CHEK1PIM1MAPK8 | |
| SCHEMBL9901975 | 0.80 | AKR1C2 (0.47) | CHEK1PIM1MAPK8EPHX2KDM4E | |
| SCHEMBL965069 | 0.80 | CHEK1 (0.46) | GAAPOLBCHEK1PIM1MAPK8 | |
| SCHEMBL27719541 | 0.80 | THRB (0.45) | GAAALDH1A1POLBTHRBPIM1 |
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-2393781-B1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | HOFFMANN LA ROCHE (CH) | 2014-03-12 | — | — | EP | disclosed |