Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.47 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MET | P08581 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1200410 | 0.86 | ALDH1A1 (0.69) | ALDH1A1KMT2AHTTCA2CA5A | |
| SCHEMBL8820528 | 0.81 | KMT2A (0.54) | ALDH1A1KMT2AGAAHTTCA2 | |
| SCHEMBL13724053 | 0.79 | KMT2A (0.51) | ALDH1A1KMT2AGAAHTTCA2 | |
| SCHEMBL10682460 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KMT2AGAAHTTMEN1 | |
| SCHEMBL27464615 | 0.77 | KMT2A (0.60) | KMT2AGAAHTTCA2CA5A | |
| SCHEMBL13724015 | 0.76 | KMT2A (0.48) | ALDH1A1KMT2AGAAHTTCA2 | |
| SCHEMBL5483840 | 0.76 | ALDH1A1 (0.49) | ALDH1A1KMT2AGAAHTTMEN1 | |
| SCHEMBL5483841 | 0.76 | ALDH1A1 (0.49) | ALDH1A1KMT2AGAAHTTMEN1 | |
| SCHEMBL8820307 | 0.76 | KMT2A (0.56) | ALDH1A1KMT2AGAAHTTCA2 | |
| SCHEMBL7822262 | 0.75 | LMNA (0.58) | ALDH1A1KMT2AGAAMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1845083-A2 | New arylsulfonohydrazide inhibitors of enzymes MurC and MurD | UNIVERZA V LJUBLJANI, FAKULTETA ZA FARMACIJO (SI) | 2007-10-17 | — | — | EP | disclosed |