Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PI4KA | P42356 | 1/20 | 0.32 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.32 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | BRD2 | P25440 | 1/20 | 0.31 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.30 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27250279 | 0.86 | GRM1 (0.31) | GRM1GRM4 | |
| SCHEMBL24719482 | 0.84 | CAPN1 (0.42) | HSD17B13GRM1GRM4 | |
| SCHEMBL30124212 | 0.84 | CAPN1 (0.42) | HSD17B13GRM1GRM4 | |
| SCHEMBL24720655 | 0.84 | AKR1C3 (0.33) | HSD17B13 | |
| SCHEMBL24719452 | 0.84 | ESR2 (0.36) | — | |
| SCHEMBL24719442 | 0.83 | TAAR1 (0.35) | BRD4 | |
| SCHEMBL24719722 | 0.83 | BRD4 (0.36) | BRD4 | |
| SCHEMBL24720078 | 0.82 | CAPN1 (0.36) | GRM1GRM4 | |
| SCHEMBL24720609 | 0.81 | PTGES (0.34) | — | |
| SCHEMBL24720654 | 0.81 | TAAR1 (0.38) | ALDH2 |
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-2022261204-A1 | ANTICANCER COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-12-15 | — | — | WO | disclosed |