Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 20/20 | 0.48 |
| ▸ | MAOA | P21397 | 12/20 | 0.48 |
| ▸ | MAOB | P27338 | 12/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2108174 | 0.93 | ALDH2 (0.57) | ALDH2MAOAMAOB | |
| SCHEMBL2108388 | 0.90 | ALDH2 (0.47) | ALDH2MAOAMAOB | |
| SCHEMBL3623551 | 0.89 | ALDH2 (0.44) | ALDH2MAOAMAOB | |
| SCHEMBL2110551 | 0.88 | ALDH2 (0.43) | ALDH2MAOAMAOB | |
| SCHEMBL2107867 | 0.88 | ALDH2 (0.45) | ALDH2MAOAMAOB | |
| SCHEMBL2109138 | 0.87 | ALDH2 (0.42) | ALDH2MAOAMAOB | |
| SCHEMBL2107569 | 0.86 | ALDH2 (0.57) | ALDH2MAOAMAOB | |
| SCHEMBL2110442 | 0.86 | ALDH2 (0.41) | ALDH2MAOAMAOB | |
| SCHEMBL2106844 | 0.85 | ALDH2 (0.64) | ALDH2MAOAMAOB | |
| SCHEMBL2107541 | 0.85 | ALDH2 (0.42) | ALDH2MAOAMAOB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2254878-A1 | ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION | Gilead Palo Alto, Inc. (US) | 2010-12-01 | — | — | EP | disclosed |
| EP-2231149-A2 | ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS | CV Therapeutics Inc. (US) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009094028-A1 | ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION | CV THERAPEUTICS, INC. (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2009061924-A2 | ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS | CV THERAPEUTICS, INC. (US) | 2009-05-14 | — | — | WO | disclosed |
| EP-2046769-A2 | ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION | CV THERAPEUTICS, INC. (US) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008014497-A2 | ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION | CV THERAPEUTICS, INC. (US) | 2008-01-31 | — | — | WO | disclosed |