Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL17916020 | 0.83 | TDP1 (0.50) | TDP1LMNACASP3ALDH1A1HTT | |
| SCHEMBL6954298 | 0.82 | TDP1 (0.53) | TDP1LMNACASP3ALDH1A1HTT | |
| SCHEMBL27694853 | 0.82 | TDP1 (0.53) | TDP1LMNACASP3ALDH1A1HTT | |
| SCHEMBL6656473 | 0.81 | TDP1 (0.57) | TDP1LMNACASP3ALDH1A1HTT | |
| SCHEMBL29381145 | 0.81 | TDP1 (0.57) | TDP1LMNACASP3ALDH1A1HTT | |
| SCHEMBL166122 | 0.81 | TDP1 (0.57) | TDP1LMNACASP3ALDH1A1HTT | |
| SCHEMBL1892274 | 0.79 | TDP1 (0.55) | TDP1LMNACASP3ALDH1A1HTT | |
| SCHEMBL27755640 | 0.78 | TDP1 (0.65) | TDP1LMNACASP3ALDH1A1HTT | |
| SCHEMBL19981234 | 0.77 | TDP1 (0.53) | TDP1LMNACASP3ALDH1A1HTT | |
| SCHEMBL11229719 | 0.77 | TDP1 (0.53) | TDP1LMNACASP3ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020252457-A1 | PROCESSES AND COMPOUNDS FOR THE DECARBOXYLATIVE AMINATION OF REDOX-ACTIVE ESTERS WITH DIAZIRINES | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2020-12-17 | — | — | WO | disclosed |