Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.40 |
| ▸ | CASP5 | P51878 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CASP4 | P49662 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | DRD4 | P21917 | 3/20 | 0.38 |
| ▸ | DRD3 | P35462 | 3/20 | 0.38 |
| ▸ | IGF1R | P08069 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ACP1 | P24666 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24697805 | 0.91 | CASP1 (0.44) | CASP1CASP5KMT2ACASP4LMNA | |
| SCHEMBL24699446 | 0.90 | CASP1 (0.45) | CASP1CASP5CASP4LMNAHTT | |
| SCHEMBL24698793 | 0.89 | CASP1 (0.43) | CASP1CASP5KMT2ACASP4LMNA | |
| SCHEMBL24698176 | 0.84 | KDM4E (0.44) | HTTALDH1A1DRD2DRD4DRD3 | |
| SCHEMBL24698194 | 0.83 | LMNA (0.38) | CASP1CASP5CASP4LMNAHTT | |
| SCHEMBL24699003 | 0.82 | PRMT6 (0.39) | CASP1CASP5LMNAHTTL3MBTL1 | |
| SCHEMBL24699383 | 0.80 | LMNA (0.35) | CASP1CASP5KMT2ACASP4LMNA | |
| SCHEMBL19623831 | 0.79 | PIK3CA (0.49) | LMNAHTTL3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL19623475 | 0.79 | ACHE (0.51) | KMT2ALMNAHTTL3MBTL1ALDH1A1 | |
| SCHEMBL24698819 | 0.79 | PRMT6 (0.44) | LMNAHTTL3MBTL1ALDH1A1SMN1; SMN2 |
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-2050749-B1 | PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2017-11-22 | — | — | EP | disclosed |