Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | PAK4 | O96013 | 1/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.37 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.34 |
| ▸ | CDK9 | P50750 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | ITK | Q08881 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2269500 | 0.85 | PSEN1 (0.54) | PLK4PAK4PSEN1PSEN2APH1B | |
| Tert-Butyl Formate SCHEMBL27913074 | 0.81 | PSEN1 (0.47) | PLK4PAK4PSEN1PSEN2APH1B | |
| SCHEMBL2270043 | 0.74 | PSEN1 (0.51) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL12078284 | 0.71 | PSEN1 (0.48) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL12078283 | 0.71 | PSEN1 (0.48) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| Hydrochloric Acid SCHEMBL12078705 | 0.71 | PSEN1 (0.51) | PLK4PAK4PSEN1PSEN2APH1B | |
| SCHEMBL2354610 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL27689356 | 0.67 | DDR1 (0.50) | SSTR4SSTR1DDR1 | |
| SCHEMBL2271410 | 0.67 | PSEN1 (0.51) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL2278329 | 0.66 | PSEN1 (0.77) | PLK4PAK4PSEN1PSEN2APH1B |
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 |
|---|---|---|---|---|---|---|---|
| CN-103025724-A | Piperidine derivatives | HOFFMANN LA ROCHE | 2013-04-03 | — | — | CN | disclosed |