Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28677669 | 0.81 | CPA1 (0.41) | ALDH1A1LMNACPA1MAPT | |
| SCHEMBL19204849 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CYP2C19LMNACPA1KDM4E | |
| SCHEMBL7556173 | 0.78 | CPA1 (0.42) | ALDH1A1CYP2C19LMNACPA1KDM4E | |
| SCHEMBL19204850 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CYP2C19LMNACPA1SMN1; SMN2 | |
| SCHEMBL1447650 | 0.78 | CPA1 (0.35) | ALDH1A1CYP2C19CPA1 | |
| SCHEMBL27401781 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP2C19LMNACPA1KDM4E | |
| SCHEMBL19204840 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP2C19LMNACPA1SMN1; SMN2 | |
| SCHEMBL26640113 | 0.75 | ALDH1A1 (0.40) | ALDH1A1CYP2C19LMNACPA1SMN1; SMN2 | |
| SCHEMBL7563800 | 0.75 | CA1 (0.50) | ALDH1A1CYP2C19LMNACPA1 | |
| SCHEMBL8549487 | 0.75 | — | — |
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-109678738-B | Method for synthesizing (2S,3S) -3-amino-bicyclo [2.2.2] octane-2-formate | 深圳市华先医药科技有限公司 | 2021-11-30 | — | — | CN | claimed |
| CN-109678738-B | Method for synthesizing (2S,3S) -3-amino-bicyclo [2.2.2] octane-2-formate | 深圳市华先医药科技有限公司 | 2021-11-30 | — | — | CN | disclosed |
| CN-112654354-A | 1,3,4, 9-tetrahydro-2H-pyrido [3,4-b ] indole derivative compound and application thereof | 菲尼克思药业股份有限公司 | 2021-04-13 | — | — | CN | disclosed |
| CN-109678738-A | A kind of method synthesizing (2S, 3S) -3- amino-two ring [2.2.2] octane -2- formic acid esters | 深圳市华先医药科技有限公司 | 2019-04-26 | — | — | CN | disclosed |