Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.65 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.65 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.65 |
| ▸ | PPARA | Q07869 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | GRM5 | P41594 | 12/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29176845 | 1.00 | CASP3 (0.65) | CASP3SENP7SENP6PPARACA12 | |
| SCHEMBL29176859 | 0.94 | CA12 (0.61) | CASP3SENP7SENP6PPARACA12 | |
| SCHEMBL30817781 | 0.94 | CA12 (0.61) | CASP3SENP7SENP6PPARACA12 | |
| SCHEMBL16636594 | 0.80 | CASP3 (0.69) | CASP3SENP7SENP6PPARACA12 | |
| SCHEMBL60197 | 0.80 | CASP3 (0.61) | CASP3SENP7SENP6PPARACA12 | |
| SCHEMBL16636851 | 0.79 | CASP3 (0.71) | CASP3SENP7SENP6PPARACA12 | |
| SCHEMBL17014736 | 0.77 | CYP1A2 (0.74) | CASP3SENP7SENP6PPARACYP1A2 | |
| SCHEMBL59346 | 0.77 | CASP3 (0.64) | CASP3SENP7SENP6PPARACA12 | |
| SCHEMBL12377807 | 0.77 | CASP3 (0.86) | CASP3SENP7SENP6CA12CA1 | |
| SCHEMBL19399259 | 0.77 | GRM5 (0.63) | CASP3SENP7SENP6CA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117720535-B | Pyrido [1, 2-a ] pyrimidine mesoionic derivative containing 1,2, 4-oxadiazole structure, and preparation and application thereof | 贵州大学 | 2025-05-13 | — | — | CN | disclosed |
| CN-117720535-A | Pyrido [1,2-a ] pyrimidine mesoionic derivative containing 1,2, 4-oxadiazole structure, and preparation and application thereof | 贵州大学 | 2024-03-19 | — | — | CN | disclosed |