Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | GFER | P55789 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.46 |
| ▸ | PADI4 | Q9UM07 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29639198 | 1.00 | PTGS2 (0.54) | PTGS2KDM4EHSD17B10NPSR1PIM1 | |
| SCHEMBL29639258 | 0.94 | PTGS2 (0.54) | PTGS2KDM4EHSD17B10NPSR1PIM1 | |
| SCHEMBL30472330 | 0.86 | SERPINE1 (0.56) | PTGS2KDM4ENPSR1PIM1ALDH1A1 | |
| SCHEMBL29031885 | 0.86 | SERPINE1 (0.56) | PTGS2KDM4ENPSR1PIM1ALDH1A1 | |
| SCHEMBL30472324 | 0.84 | ESR1 (0.49) | PTGS2KDM4EHSD17B10PIM1HPGD | |
| SCHEMBL29031875 | 0.84 | ESR1 (0.49) | PTGS2KDM4EHSD17B10PIM1HPGD | |
| SCHEMBL14867252 | 0.83 | HPGD (0.46) | PTGS2KDM4EHSD17B10NPSR1PIM1 | |
| SCHEMBL29031852 | 0.82 | PTGS2 (0.56) | PTGS2HPGDNPC1RAB9ASERPINE1 | |
| SCHEMBL29639169 | 0.82 | PTGS2 (0.56) | PTGS2HPGDNPC1RAB9ASERPINE1 | |
| SCHEMBL14867249 | 0.81 | KDM4E (0.50) | PTGS2KDM4EHPGDALDH1A1SMN1; SMN2 |
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-116396206-A | Isoindolinone compound and preparation method and application thereof | 五邑大学 | 2023-07-07 | — | — | CN | disclosed |