Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 5/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 8/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 8/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 8/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 8/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9584987 | 0.89 | ALDH1A1 (0.51) | ALDH1A1GLAADRA2CDRD4CHRNB4 | |
| SCHEMBL9584274 | 0.86 | ALDH1A1 (0.51) | ALDH1A1GLAADRA2CDRD4CHRNB4 | |
| SCHEMBL9585096 | 0.86 | ALDH1A1 (0.51) | ALDH1A1GLAADRA2CDRD4CHRNB4 | |
| SCHEMBL9711767 | 0.81 | ALDH1A1 (0.46) | ALDH1A1GLAADRA2CDRD4HTR1A | |
| SCHEMBL9585387 | 0.81 | ALDH1A1 (0.51) | ALDH1A1GLAADRA2CDRD4CHRNB4 | |
| SCHEMBL7282918 | 0.80 | ALDH1A1 (0.71) | ALDH1A1GLAADRA2CDRD4CHRNB4 | |
| SCHEMBL3634571 | 0.80 | ALDH1A1 (0.71) | ALDH1A1GLAADRA2CDRD4CHRNB4 | |
| SCHEMBL29769262 | 0.80 | ALDH1A1 (0.71) | ALDH1A1GLAADRA2CDRD4CHRNB4 | |
| SCHEMBL93244 | 0.80 | ALDH1A1 (0.71) | ALDH1A1GLAADRA2CDRD4CHRNB4 | |
| SCHEMBL9586088 | 0.80 | PKM (0.52) | ALDH1A1GLADRD4TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5212316-A | Respiratory system disorders | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-05-18 | — | — | US | disclosed |
| EP-0303227-B1 | ETHERS AND THIOETHERS HAVING THERAPEUTICAL ACTIVITY, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-02-05 | — | — | EP | disclosed |
| US-4968706-A | MUCOLYTIC, ANTITUSSIVE, BRONCHODILATOR, ANTIINFLAMMATORY | BOEHRINGER MANNHEIN ITALIA, S.P.A. (IT) | 1990-11-06 | — | — | US | disclosed |
| EP-0303227-A1 | Ethers and thioethers having therapeutical activity, their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1989-02-15 | — | — | EP | disclosed |