Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 19/20 | 0.55 |
| ▸ | MAOA | P21397 | 10/20 | 0.55 |
| ▸ | MAOB | P27338 | 10/20 | 0.55 |
| ▸ | XDH | P47989 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2108020 | 0.87 | ALDH2 (0.61) | ALDH2MAOAMAOB | |
| SCHEMBL3666659 | 0.86 | ALDH2 (0.59) | ALDH2MAOAMAOB | |
| SCHEMBL2106711 | 0.86 | ALDH2 (0.54) | ALDH2MAOAMAOBXDH | |
| SCHEMBL2107604 | 0.86 | XDH (0.57) | ALDH2MAOAMAOBXDH | |
| SCHEMBL2106733 | 0.84 | ALDH2 (0.57) | ALDH2MAOAMAOBXDH | |
| SCHEMBL2108143 | 0.83 | ALDH2 (0.60) | ALDH2MAOAMAOBXDH | |
| SCHEMBL4090316 | 0.83 | XDH (0.66) | ALDH2MAOAMAOBXDH | |
| SCHEMBL3631565 | 0.82 | ALDH2 (0.65) | ALDH2MAOAMAOBXDH | |
| SCHEMBL2108533 | 0.81 | ALDH2 (0.59) | ALDH2MAOAMAOB | |
| SCHEMBL2107605 | 0.81 | ALDH2 (0.56) | ALDH2MAOAMAOBXDH |
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 |