Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 2/20 | 0.37 |
| ▸ | GSTM2 | P28161 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL29118433 | 1.00 | ALDH1A1 (0.38) | ALDH1A1LMNAKMT2AGSTP1GSTM2 | |
| SCHEMBL28078442 | 0.78 | MAPT (0.41) | ALDH1A1LMNAKMT2AMAPTCYP3A4 | |
| SCHEMBL3203718 | 0.75 | TDP1 (0.41) | ALDH1A1LMNAKMT2AGSTP1GSTM2 | |
| SCHEMBL31658972 | 0.75 | GSTP1 (0.46) | ALDH1A1KMT2AGSTP1GSTM2MAPT | |
| SCHEMBL2313725 | 0.75 | TDP1 (0.46) | ALDH1A1LMNAKMT2AMAPTTSHR | |
| SCHEMBL13481780 | 0.74 | GSTP1 (0.58) | KMT2AGSTP1GSTM2HTTPOLB | |
| SCHEMBL2310322 | 0.72 | TDP1 (0.41) | ALDH1A1LMNAKMT2AGSTP1GSTM2 | |
| SCHEMBL6685709 | 0.70 | IDO1 (0.36) | ALDH1A1KMT2AGSTM2MAPTNPC1 | |
| SCHEMBL2333611 | 0.69 | TDP1 (0.41) | ALDH1A1LMNAKMT2AGSTP1GSTM2 | |
| SCHEMBL1100536 | 0.69 | ALDH1A1 (0.46) | ALDH1A1KMT2AGSTP1GSTM2MAPT |
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-114685474-B | Nitro-benzoxadiazole benzoyl piperazine compound and preparation method and application thereof | 安徽工业大学 | 2023-12-08 | — | — | CN | disclosed |