Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | VRK1 | Q99986 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 2/20 | 0.32 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL25522207 | 0.95 | ABCG2 (0.40) | ABCG2KDM4EGRIN2BNPC1RAB9A | |
| SCHEMBL25524102 | 0.86 | ABCG2 (0.47) | ABCG2KDM4EGRIN2BABL1EGLN3 | |
| SCHEMBL25523362 | 0.77 | VRK1 (0.35) | KDM4EGRIN2BVRK1KDR | |
| SCHEMBL25522334 | 0.77 | KDM4E (0.35) | ABCG2KDM4EGRIN2BVRK1EGLN3 | |
| SCHEMBL25520063 | 0.76 | KDM4E (0.46) | KDM4ENPC1RAB9AL3MBTL1 | |
| SCHEMBL25522210 | 0.75 | KDM4E (0.42) | ABCG2KDM4EGRIN2BNPC1RAB9A | |
| SCHEMBL25523416 | 0.75 | PDGFRB (0.43) | KDM4EGRIN2BPDGFRBPDGFRAESR2 | |
| SCHEMBL25523414 | 0.74 | KDM4E (0.51) | KDM4ENPC1RAB9AL3MBTL1 | |
| SCHEMBL25526981 | 0.73 | ABCG2 (0.45) | ABCG2GRIN2BABCB1 | |
| SCHEMBL31538928 | 0.71 | PDGFRB (0.51) | KDM4ENPC1RAB9AABL1PDGFRB |
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-2023086428-A2 | NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF | ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-05-19 | — | — | WO | disclosed |