Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.78 |
| ▸ | CA1 | P00915 | 4/20 | 0.78 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.68 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 6/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.52 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.52 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.52 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.52 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.52 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8930190 | 1.00 | CA2 (0.78) | CA2CA1PTGS2PTGS1TDP1 | |
| SCHEMBL13038180 | 1.00 | CA2 (0.78) | CA2CA1PTGS2PTGS1TDP1 | |
| SCHEMBL11414970 | 1.00 | CA2 (0.78) | CA2CA1PTGS2PTGS1TDP1 | |
| SCHEMBL13934092 | 0.94 | CA2 (0.88) | CA2CA1PTGS2PTGS1ALDH1A1 | |
| SCHEMBL10084155 | 0.88 | CA2 (1.00) | CA2CA1PTGS2PTGS1ALDH1A1 | |
| SCHEMBL31060248 | 0.88 | CA2 (1.00) | CA2CA1PTGS2PTGS1ALDH1A1 | |
| SCHEMBL11438763 | 0.86 | CA2 (0.76) | CA2CA1PTGS2PTGS1ALDH1A1 | |
| SCHEMBL11424842 | 0.86 | CA2 (0.76) | CA2CA1PTGS2PTGS1ALDH1A1 | |
| SCHEMBL11418086 | 0.86 | CA1 (0.76) | CA2CA1PTGS2PTGS1ALDH1A1 | |
| SCHEMBL11438344 | 0.86 | CA2 (0.76) | CA2CA1PTGS2PTGS1ALDH1A1 |
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-114875434-B | Electrochemical method for amination of imine compounds | 齐鲁工业大学 | 2023-08-11 | — | — | CN | disclosed |
| CN-114875434-A | Electrochemical method for amination of imine compound | 齐鲁工业大学 | 2022-08-09 | — | — | CN | disclosed |