Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 1/20 | 0.43 |
| ▸ | ACLY | P53396 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | FABP1 | P07148 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30965264 | 0.95 | ACLY (0.44) | WDR5ACLYPIK3CDALDH1A1HSD17B10 | |
| SCHEMBL30965248 | 0.90 | WDR5 (0.45) | WDR5ACLYPIK3CDALDH1A1METAP2 | |
| SCHEMBL30965153 | 0.87 | CYP19A1 (0.46) | ALDH1A1KDM4EHPGDHSD17B10NPSR1 | |
| SCHEMBL30965179 | 0.82 | CYP19A1 (0.45) | ALDH1A1KDM4EHPGDHSD17B10NPSR1 | |
| SCHEMBL30965204 | 0.81 | HPGD (0.47) | ALDH1A1KDM4EHPGDHSD17B10NPSR1 | |
| SCHEMBL30965221 | 0.81 | MCL1 (0.40) | ACLYALDH1A1METAP2 | |
| SCHEMBL30965240 | 0.81 | ACLY (0.41) | ACLYALDH1A1KDM4EHSD17B10NPSR1 | |
| SCHEMBL30965151 | 0.80 | CYP19A1 (0.44) | ALDH1A1S1PR5 | |
| SCHEMBL30965244 | 0.77 | CYP19A1 (0.47) | ALDH1A1HPGD | |
| SCHEMBL30965205 | 0.76 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDHSD17B10MAPT |
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-118125964-A | Isoindoline-1, 3-diketone mPGES-1 inhibitor and application thereof | 长江大学 | 2024-06-04 | — | — | CN | disclosed |