Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.55 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.55 |
| ▸ | TGM2 | P21980 | 5/20 | 0.53 |
| ▸ | CES1 | P23141 | 4/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 5/20 | 0.49 |
| ▸ | MAOB | P27338 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL5893915 | 1.00 | SMYD3 (0.55) | SMYD3PDPK1TGM2CES1CA12 | |
| SCHEMBL1050601 | 0.84 | SMYD3 (0.56) | SMYD3PDPK1TGM2CES1CA12 | |
| SCHEMBL29631093 | 0.84 | SMYD3 (0.56) | SMYD3PDPK1TGM2CES1CA12 | |
| SCHEMBL14563297 | 0.82 | TGM2 (0.58) | SMYD3TGM2CES1CA12CA1 | |
| SCHEMBL22380701 | 0.78 | PDPK1 (0.57) | SMYD3PDPK1TGM2CES1CA12 | |
| Acetamide SCHEMBL27380996 | 0.77 | ROS1 (0.56) | PDPK1TGM2CES1CA12CA1 | |
| SCHEMBL1290836 | 0.77 | ACVR1 (0.62) | PDPK1MAOAMAOBALDH1A1 | |
| SCHEMBL5783842 | 0.77 | TGM2 (0.65) | SMYD3TGM2CES1CA12CA1 | |
| SCHEMBL21154678 | 0.77 | ACVR1 (0.62) | PDPK1MAOAMAOBALDH1A1 | |
| SCHEMBL2360398 | 0.76 | PPOX (0.48) | PDPK1ALDH1A1 |
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 |