Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 11/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19623601 | 0.82 | PIK3CA (0.49) | PIK3CAMTORKDM4EHPGDMAPT | |
| SCHEMBL19623572 | 0.80 | PIK3CA (0.49) | PIK3CAMTOR | |
| SCHEMBL19623634 | 0.80 | PIK3CA (0.51) | PIK3CAKDM4EALDH1A1HPGDMAPT | |
| SCHEMBL19623865 | 0.80 | PIK3CA (0.50) | PIK3CAMTORKDM4EALDH1A1MAPT | |
| SCHEMBL19623869 | 0.80 | PIK3CA (0.42) | PIK3CAMTORALDH1A1 | |
| SCHEMBL19623703 | 0.79 | PIK3CA (0.49) | PIK3CAMTORKDM4EALDH1A1HDAC3 | |
| SCHEMBL19623495 | 0.79 | KDM4E (0.57) | PIK3CAMTORKDM4EALDH1A1HPGD | |
| SCHEMBL19623545 | 0.79 | PIK3CA (0.62) | PIK3CAMTORKDM4EALDH1A1 | |
| SCHEMBL2378475 | 0.78 | PIK3CA (0.70) | PIK3CA | |
| SCHEMBL19623874 | 0.78 | MEN1 (0.48) | PIK3CAMTORALDH1A1KDRHDAC6 |
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 |