Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5672477 | 0.86 | CA12 (0.48) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL5674063 | 0.86 | PTGS2 (0.46) | PTGS2PTGS1 | |
| SCHEMBL5674068 | 0.81 | CA12 (0.62) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL3831175 | 0.74 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL5672972 | 0.73 | CA12 (0.60) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL5671527 | 0.73 | PTGS2 (0.56) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8076923 | 0.71 | PTGS2 (0.61) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8397305 | 0.70 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL8303948 | 0.70 | PTGS2 (0.59) | PTGS2PTGS1 | |
| SCHEMBL8071998 | 0.70 | CA12 (0.63) | PTGS2PTGS1CA12CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114634505-B | Substituted indolone-chain-substituted-1, 3-thiazolidineone derivative and preparation method and application thereof | 复旦大学 | 2024-05-24 | — | — | CN | disclosed |
| CN-114634506-B | Substituted 1H-indol-2-one-yl-3, 5-substituted aryl-1, 3-thiazolidinedione derivatives | 复旦大学 | 2024-04-19 | — | — | CN | disclosed |
| CN-114634505-A | Substituted indolone-link-substituted-1, 3-thiazolidinone derivative and preparation method and application thereof | 复旦大学 | 2022-06-17 | — | — | CN | disclosed |
| CN-114634506-A | Substituted 1H-indol-2-one-link-3, 5-substituted aryl-1, 3-thiazolidinone derivatives | 复旦大学 | 2022-06-17 | — | — | CN | disclosed |