Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 2/20 | 0.37 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1546524 | 0.92 | SIRT1 (0.41) | ALDH1A1SMN1; SMN2LMNAHTTADORA2A | |
| SCHEMBL1545988 | 0.87 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2LMNAHTTADORA2A | |
| SCHEMBL4759804 | 0.80 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2LMNAHTTADORA2A | |
| SCHEMBL1959286 | 0.78 | CASP6 (0.61) | ALDH1A1SMN1; SMN2LMNAHTTCASP6 | |
| SCHEMBL3397649 | 0.77 | CASP6 (0.42) | ALDH1A1SMN1; SMN2HTTADORA2AADORA2B | |
| SCHEMBL7356240 | 0.74 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2LMNAADORA2AADORA2B | |
| SCHEMBL1946869 | 0.73 | KDM4E (0.56) | ALDH1A1SMN1; SMN2LMNAL3MBTL1MEN1 | |
| SCHEMBL1546783 | 0.73 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2LMNAHTTADORA2A | |
| SCHEMBL11606963 | 0.73 | CASP6 (0.44) | ALDH1A1SMN1; SMN2LMNAHTTCASP6 | |
| SCHEMBL1546080 | 0.71 | SIRT1 (0.46) | ALDH1A1SMN1; SMN2LMNAHTTADORA2A |
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-0407651-A2 | Use of 1,3-diisobutyl-8-methylxanthine as a bronchodilator and antiallergy agent | J. URIACH & CIA. S.A. (ES) | 1991-01-16 | — | — | EP | disclosed |