Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CKS1B | P61024 | 1/20 | 0.50 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 4/20 | 0.45 |
| ▸ | CCR8 | P51685 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28809049 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CKS1BSKP2CYP19A1CCR1 | |
| SCHEMBL1102985 | 0.79 | NQO1 (0.49) | ALDH1A1CKS1BSKP2CYP19A1CCR1 | |
| SCHEMBL28113158 | 0.79 | NQO1 (0.54) | ALDH1A1CYP19A1L3MBTL1NQO1NQO2 | |
| SCHEMBL8344369 | 0.77 | KDM4E (0.54) | ALDH1A1CKS1BSKP2CCR1CCR8 | |
| SCHEMBL19497669 | 0.77 | NQO1 (0.51) | CYP19A1NQO1NQO2APPPIK3CA | |
| SCHEMBL18357388 | 0.77 | CYP19A1 (0.50) | CKS1BSKP2CYP19A1NQO1NQO2 | |
| SCHEMBL15260648 | 0.76 | CYP19A1 (0.49) | CKS1BSKP2CYP19A1NQO1NQO2 | |
| SCHEMBL15436363 | 0.75 | DYRK1A (0.57) | CKS1BSKP2CCNT1CCNA2CDK2 | |
| SCHEMBL17677995 | 0.75 | PDGFRB (0.57) | CKS1BSKP2CYP19A1APPPIK3CA | |
| SCHEMBL29986368 | 0.75 | CYP19A1 (0.48) | CKS1BSKP2CYP19A1NQO1NQO2 |
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-114736158-B | Substituted aza [5] spiroalkene derivative, and preparation method and application thereof | 苏州大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-114736158-A | Substituted aza [5] helicene derivative and preparation method and application thereof | 苏州大学 | 2022-07-12 | — | — | CN | disclosed |