Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30965179 | 0.95 | CYP19A1 (0.45) | CYP19A1HPGDHSD17B10KDM4EALDH1A1 | |
| SCHEMBL30965244 | 0.89 | CYP19A1 (0.47) | CYP19A1HPGDALDH1A1S1PR3NPC1 | |
| SCHEMBL30965253 | 0.87 | WDR5 (0.43) | HPGDHSD17B10KDM4EALDH1A1NPSR1 | |
| SCHEMBL30965151 | 0.86 | CYP19A1 (0.44) | CYP19A1ALDH1A1S1PR5S1PR3RAB9A | |
| SCHEMBL30965204 | 0.85 | HPGD (0.47) | HPGDHSD17B10KDM4EALDH1A1NPSR1 | |
| SCHEMBL30965222 | 0.84 | CYP19A1 (0.39) | CYP19A1ALDH1A1SMN1; SMN2S1PR5 | |
| SCHEMBL30965264 | 0.82 | ACLY (0.44) | HSD17B10ALDH1A1NPSR1SMN1; SMN2S1PR5 | |
| SCHEMBL30965196 | 0.82 | ALDH1A1 (0.39) | HPGDHSD17B10KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL30965250 | 0.81 | RAB9A (0.45) | CYP19A1HSD17B10ALDH1A1SMN1; SMN2S1PR5 | |
| SCHEMBL30965205 | 0.80 | ALDH1A1 (0.45) | HPGDHSD17B10KDM4EALDH1A1SMN1; 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-118125964-A | Isoindoline-1, 3-diketone mPGES-1 inhibitor and application thereof | 长江大学 | 2024-06-04 | — | — | CN | disclosed |