Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGM2 | P21980 | 5/20 | 0.56 |
| ▸ | CES1 | P23141 | 4/20 | 0.56 |
| ▸ | MAOA | P21397 | 9/20 | 0.47 |
| ▸ | MAOB | P27338 | 9/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL24237008 | 0.77 | PPOX (0.52) | ALDH1A1 | |
| SCHEMBL28383053 | 0.76 | TGM2 (0.56) | TGM2CES1MAOAMAOBCA12 | |
| SCHEMBL9330149 | 0.75 | MAOA (0.58) | TGM2CES1MAOAMAOBCA12 | |
| SCHEMBL27591208 | 0.75 | PDPK1 (0.59) | TGM2CES1MAOAMAOBCA12 | |
| SCHEMBL5529117 | 0.73 | GSK3B (0.60) | TGM2CES1MAOACA12CA1 | |
| Nitrogen SCHEMBL29155961 | 0.73 | TGM2 (0.92) | TGM2CES1MAOAMAOBCA12 | |
| SCHEMBL9116280 | 0.73 | MAOA (0.65) | TGM2CES1MAOAMAOBCA12 | |
| SCHEMBL5359591 | 0.72 | CASP3 (0.57) | ALDH1A1CASP3 | |
| SCHEMBL29506317 | 0.72 | TGM2 (1.00) | TGM2CES1MAOAMAOBCA12 | |
| SCHEMBL134453 | 0.72 | TGM2 (1.00) | TGM2CES1MAOAMAOBCA12 |
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-115636817-B | Isatin derivative containing triazole ring, and preparation method and application thereof | 山东大学 | 2023-11-24 | — | — | CN | claimed |