Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 2/20 | 0.37 |
| ▸ | PDE1A | P54750 | 2/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.37 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.37 |
| ▸ | RGS4 | P49798 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1546099 | 0.91 | ALDH1A1 (0.63) | ALDH1A1ADORA2AADORA2BKDM4EMEN1 | |
| SCHEMBL10957985 | 0.85 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HPGDTSHRSMN1; SMN2 | |
| SCHEMBL1545990 | 0.85 | ALDH1A1 (0.75) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL4763472 | 0.78 | ALDH1A1 (0.47) | ALDH1A1ADORA2AADORA2BKDM4EMEN1 | |
| SCHEMBL1963344 | 0.75 | ALDH1A1 (0.71) | ALDH1A1ADORA2AADORA2BKDM4EMEN1 | |
| SCHEMBL2329963 | 0.74 | ALDH1A1 (0.47) | ALDH1A1ADORA2AADORA2BKDM4EMAPT | |
| SCHEMBL11429505 | 0.73 | RGS4 (0.50) | ALDH1A1ADORA2AADORA2BCYP3A4TSHR | |
| SCHEMBL5604544 | 0.72 | ALDH1A1 (0.45) | ALDH1A1ADORA2AADORA2BKDM4EMEN1 | |
| SCHEMBL2330664 | 0.71 | ALDH1A1 (0.47) | ALDH1A1ADORA2AADORA2BKDM4ECYP3A4 | |
| SCHEMBL11606618 | 0.70 | ALDH1A1 (0.55) | ALDH1A1CYP3A4HPGDTSHRSMN1; SMN2 |
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 |