Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 3/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | SCN1A | P35498 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23747204 | 0.87 | AKR1B1 (0.37) | EGFRKDRAKR1B1ALDH1A1PDE4A | |
| SCHEMBL23747098 | 0.82 | ALDH1A1 (0.49) | EGFRKDRALDH1A1KMT2APDE1B | |
| SCHEMBL23747097 | 0.79 | KDM4E (0.47) | EGFRKDRALDH1A1KMT2AF2 | |
| SCHEMBL23747000 | 0.76 | EGFR (0.47) | EGFRKDRALDH1A1KMT2A | |
| SCHEMBL23746986 | 0.75 | EGFR (0.44) | EGFRKDRALDH1A1CHRNA7HTR3A | |
| SCHEMBL23746992 | 0.74 | EGFR (0.42) | EGFRKDRCHRNA7HTR3A | |
| SCHEMBL23746994 | 0.71 | EGFR (0.45) | EGFRKDRALDH1A1 | |
| SCHEMBL23746985 | 0.69 | ALDH1A1 (0.49) | AKR1B1ALDH1A1KMT2APDE1BCHRNA7 | |
| SCHEMBL23746995 | 0.67 | FKBP1A (0.43) | EGFRKDRALDH1A1KMT2ACHRNA7 | |
| SCHEMBL18571242 | 0.67 | AKR1B1 (0.46) | AKR1B1ALDH1A1KMT2ABRD4CXCR2 |
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-2021158516-A1 | IRE1α MODULATORS AND USES THEREOF | NIMBUS IASO, INC. (US) | 2021-08-12 | — | — | WO | disclosed |