Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 3/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22743930 | 1.00 | OPRL1 (0.46) | OPRL1P2RX7IDH1KCNH2PDK2 | |
| SCHEMBL2148122 | 0.89 | OPRL1 (0.42) | OPRL1P2RX7KCNH2PDK2CYP1A2 | |
| SCHEMBL16018997 | 0.81 | OPRL1 (0.34) | OPRL1IDH1KCNH2PDK2CYP1A2 | |
| SCHEMBL23364949 | 0.79 | CYP1A2 (0.41) | OPRL1KCNH2PDK2CYP1A2CYP2C19 | |
| SCHEMBL15894659 | 0.79 | CYP1A2 (0.41) | OPRL1KCNH2PDK2CYP1A2CYP2C19 | |
| SCHEMBL23364950 | 0.79 | CYP1A2 (0.41) | OPRL1KCNH2PDK2CYP1A2CYP2C19 | |
| SCHEMBL23869928 | 0.77 | OPRL1 (0.34) | OPRL1IDH1PDK2CYP1A2CYP2C19 | |
| SCHEMBL22743961 | 0.77 | OPRL1 (0.34) | OPRL1IDH1PDK2CYP1A2CYP2C19 | |
| SCHEMBL26833427 | 0.77 | OPRL1 (0.34) | OPRL1IDH1PDK2CYP1A2CYP2C19 | |
| SCHEMBL13330631 | 0.75 | OPRL1 (0.37) | OPRL1IDH1KCNH2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023217201-A2 | NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF | 杭州德睿智药科技有限公司 | 2023-11-16 | — | — | WO | disclosed |