Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | PRKACG | P22612 | 1/20 | 0.35 |
| ▸ | PRKACB | P22694 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29275133 | 1.00 | PARP1 (0.39) | PARP1AHRPDPK1HKDC1ALDH1A1 | |
| SCHEMBL2906916 | 0.90 | ALDH1A1 (0.46) | PARP1AHRPDPK1HKDC1ALDH1A1 | |
| SCHEMBL31130596 | 0.88 | ALDH1A1 (0.50) | PARP1AHRPDPK1HKDC1ALDH1A1 | |
| SCHEMBL21764658 | 0.88 | ALDH1A1 (0.50) | PARP1AHRPDPK1HKDC1ALDH1A1 | |
| SCHEMBL311307 | 0.88 | ALDH1A1 (0.50) | PARP1AHRPDPK1HKDC1ALDH1A1 | |
| SCHEMBL30366558 | 0.81 | CYP1A2 (0.45) | PARP1AHRPDPK1HKDC1ALDH1A1 | |
| SCHEMBL19417358 | 0.81 | CYP1A2 (0.45) | PARP1AHRPDPK1HKDC1ALDH1A1 | |
| SCHEMBL19164105 | 0.79 | PARP1 (0.41) | PARP1HKDC1ALDH1A1DYRK1ACCNB2 | |
| SCHEMBL29375428 | 0.79 | PARP1 (0.54) | PARP1AHRALDH1A1NOS1AXL | |
| SCHEMBL1489217 | 0.79 | PARP1 (0.54) | PARP1AHRALDH1A1NOS1AXL |
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-117106192-A | Three-dimensional pi conjugated metal organic framework material, preparation method thereof and application thereof in photocatalytic carbon dioxide reduction | 广东工业大学 | 2023-11-24 | — | — | CN | disclosed |