Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | PDE4A | P27815 | 2/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TNF | P01375 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6127956 | 1.00 | TDP1 (0.65) | TDP1LMNAPDE4APDE4BPDE4C | |
| SCHEMBL14570441 | 1.00 | TDP1 (0.65) | TDP1LMNAPDE4APDE4BPDE4C | |
| SCHEMBL14302949 | 0.87 | TDP1 (0.51) | TDP1LMNAPDE4APDE4BPDE4C | |
| SCHEMBL20462815 | 0.86 | TDP1 (0.50) | TDP1LMNAALDH1A1HTTGAA | |
| SCHEMBL20208276 | 0.85 | TDP1 (0.49) | TDP1LMNAPDE4APDE4BPDE4C | |
| SCHEMBL8732975 | 0.84 | TDP1 (0.61) | TDP1LMNACASP3ALDH1A1HTT | |
| SCHEMBL12386897 | 0.83 | CYP1B1 (0.59) | TDP1LMNAALDH1A1HTTGAA | |
| SCHEMBL18592641 | 0.83 | TDP1 (0.46) | TDP1LMNAALDH1A1HTTGAA | |
| SCHEMBL2927779 | 0.83 | TDP1 (0.46) | TDP1LMNAALDH1A1HTTGAA | |
| SCHEMBL18592640 | 0.83 | TDP1 (0.46) | TDP1LMNAALDH1A1HTTGAA |
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-111566116-B | Novel metal complex, process for producing the same, and process for producing gamma-lactam compound using the same | 基础科学研究院 | 2023-06-09 | — | — | CN | disclosed |
| WO-2022059779-A1 | AMINE DERIVATIVE | 大日本住友製薬株式会社 | 2022-03-24 | — | — | WO | disclosed |