Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALPG | P10696 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL10179678 | 0.86 | ALDH1A1 (0.42) | ALDH1A1HTTMAPTKMT2ALMNA | |
| SCHEMBL2041881 | 0.86 | KMT2A (0.34) | ALDH1A1HTTKMT2ALMNASMN1; SMN2 | |
| SCHEMBL10452409 | 0.83 | KMT2A (0.44) | ALDH1A1HTTMAPTKMT2ALMNA | |
| SCHEMBL12611797 | 0.81 | KMT2A (0.38) | ALDH1A1HTTMAPTKMT2AESR1 | |
| SCHEMBL10698385 | 0.79 | S1PR3 (0.40) | ALDH1A1HTTMAPTKMT2AS1PR1 | |
| SCHEMBL10451128 | 0.79 | KMT2A (0.46) | ALDH1A1HTTMAPTKMT2ALMNA | |
| SCHEMBL10452002 | 0.79 | KMT2A (0.51) | ALDH1A1HTTMAPTKMT2ALMNA | |
| SCHEMBL16398617 | 0.79 | KCNA5 (0.43) | ALDH1A1GAA | |
| SCHEMBL10179847 | 0.79 | KCNA5 (0.40) | ALDH1A1MAPTKMT2AGAAKDM4E | |
| SCHEMBL10181046 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HTTMAPTKMT2ALMNA |
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-2011073143-A1 | SUBSTITUTED CYANOBUTYRATES HAVING HERBICIDAL ACTION | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |