Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 15/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | ROS1 | P08922 | 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 | |
|---|---|---|---|---|
| SCHEMBL28894928 | 1.00 | PIK3CA (0.45) | PIK3CAMCHR1HRH4KDM4ETP53 | |
| SCHEMBL28894953 | 0.88 | CYP3A4 (0.48) | PIK3CAMCHR1ROS1 | |
| SCHEMBL30085501 | 0.88 | CYP3A4 (0.48) | PIK3CAMCHR1ROS1 | |
| SCHEMBL30085813 | 0.88 | CYP3A4 (0.48) | PIK3CAMCHR1ROS1 | |
| SCHEMBL28894740 | 0.88 | CYP3A4 (0.48) | PIK3CAMCHR1ROS1 | |
| SCHEMBL30085413 | 0.88 | CYP3A4 (0.48) | PIK3CAMCHR1ROS1 | |
| SCHEMBL28894738 | 0.88 | CYP3A4 (0.48) | PIK3CAMCHR1ROS1 | |
| SCHEMBL28894623 | 0.87 | MAPK13 (0.47) | PIK3CAMCHR1HRH4KDM4ETP53 | |
| SCHEMBL30085558 | 0.87 | MAPK13 (0.47) | PIK3CAMCHR1HRH4KDM4ETP53 | |
| SCHEMBL28894626 | 0.87 | MAPK13 (0.47) | PIK3CAMCHR1HRH4KDM4ETP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115397818-A | Aminopyrimidine derivatives and their use as modulators of arene receptors | 东亚ST株式会社 | 2022-11-25 | — | — | CN | claimed |
| CN-115397818-A | Aminopyrimidine derivatives and their use as modulators of arene receptors | 东亚ST株式会社 | 2022-11-25 | — | — | CN | disclosed |