Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KMO | O15229 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | ESRRB | O95718 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESRRA | P11474 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL30540623 | 0.98 | KEAP1 (0.35) | KEAP1ALOX15TSHRHIF1AMGAM | |
| SCHEMBL30540492 | 0.85 | PDPK1 (0.36) | — | |
| Lithium Ion SCHEMBL30540604 | 0.84 | JAK3 (0.32) | — | |
| SCHEMBL30540544 | 0.82 | MAPK1 (0.37) | ALOX15ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL30540593 | 0.75 | KMO (0.42) | KEAP1ALOX15TSHRHIF1AMGAM | |
| SCHEMBL30540478 | 0.72 | GRM2 (0.39) | — | |
| SCHEMBL30540619 | 0.70 | NQO1 (0.33) | — | |
| SCHEMBL30577623 | 0.69 | MAPK1 (0.38) | ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL19925369 | 0.65 | IGFBP5 (0.40) | — | |
| SCHEMBL25349795 | 0.64 | CD38 (0.34) | ALOX15ALDH1A1HPGDHSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-118696043-A | Heterocyclic compounds, compositions thereof and methods of treatment therewith | 百济神州有限公司 | 2024-09-24 | — | — | CN | disclosed |