Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 13/20 | 0.57 |
| ▸ | PIK3R1 | P27986 | 8/20 | 0.57 |
| ▸ | MTOR | P42345 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19623581 | 0.85 | PIK3CA (0.60) | PIK3CAPIK3R1MTORKDM4EALDH1A1 | |
| SCHEMBL24699076 | 0.84 | KDM4E (0.50) | PIK3CAPIK3R1MTORKDM4EALDH1A1 | |
| SCHEMBL24698989 | 0.81 | PIK3CA (0.50) | PIK3CAKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL24698785 | 0.80 | KDM4E (0.50) | PIK3CAPIK3R1MTORKDM4EALDH1A1 | |
| SCHEMBL19623495 | 0.78 | KDM4E (0.57) | PIK3CAMTORKDM4EALDH1A1HPGD | |
| SCHEMBL19623545 | 0.78 | PIK3CA (0.62) | PIK3CAMTORKDM4EALDH1A1 | |
| SCHEMBL19623372 | 0.76 | PIK3CA (0.62) | PIK3CAPIK3R1MTOR | |
| SCHEMBL24699477 | 0.76 | ALDH1A1 (0.47) | KDM4EALDH1A1HPGDMAPTNPSR1 | |
| SCHEMBL24697795 | 0.76 | ALDH1A1 (0.40) | PIK3CAKDM4EALDH1A1HPGDLMNA | |
| SCHEMBL19623405 | 0.76 | PIK3CA (0.52) | PIK3CAKDM4EALDH1A1HPGDTSHR |
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 |