Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 9/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.49 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5009745 | 0.91 | APP (0.55) | APPCYP2C19CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL5011694 | 0.85 | SYK (0.42) | APPCYP2C19CYP2C9CYP2D6CTSK | |
| SCHEMBL5011588 | 0.81 | APP (0.45) | APPCYP2C19CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL4498009 | 0.81 | APP (0.60) | APPCYP2C19CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL4513813 | 0.79 | APP (0.55) | APPCYP2C19CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL4505580 | 0.79 | APP (0.55) | APPCYP2C19CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL5011544 | 0.77 | RORC (0.46) | APPPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL5013478 | 0.77 | APP (0.42) | APPCYP2C19CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL5011274 | 0.76 | CTSK (0.43) | APPCYP2C19CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL4513629 | 0.75 | APP (0.52) | APPCYP2C19CYP2C9CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1893562-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | Merck Frosst Canada Ltd. (CA) | 2008-03-05 | — | — | EP | claimed |
| WO-2006133559-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | MERCK FROSST CANADA LTD. (CA) | 2006-12-21 | — | — | WO | claimed |