Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 12/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 5/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 4/20 | 0.35 |
| ▸ | PAK4 | O96013 | 4/20 | 0.35 |
| ▸ | PIM1 | P11309 | 4/20 | 0.35 |
| ▸ | PRKACA | P17612 | 4/20 | 0.35 |
| ▸ | FLT3 | P36888 | 4/20 | 0.35 |
| ▸ | GSK3A | P49840 | 4/20 | 0.35 |
| ▸ | GSK3B | P49841 | 4/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.35 |
| ▸ | CDK7 | P50613 | 4/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.35 |
| ▸ | PRKCG | P05129 | 3/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | AKT2 | P31751 | 3/20 | 0.35 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2185728 | 0.83 | BACE1 (0.34) | AKT1CDK8CHRNB2CHRNA4BACE1 | |
| SCHEMBL3358712 | 0.79 | AKT1 (0.38) | AKT1CDK2PIM1PRKACAGSK3B | |
| SCHEMBL2185542 | 0.78 | AKT1 (0.36) | AKT1FLT3ROCK2KITCHRNB2 | |
| SCHEMBL3356706 | 0.77 | CHRNB2 (0.44) | JAK2CHRNB2CHRNA4YAP1 | |
| SCHEMBL2307755 | 0.77 | CHRNB2 (0.44) | JAK2CHRNB2CHRNA4YAP1 | |
| SCHEMBL3358840 | 0.77 | CHRNB2 (0.44) | JAK2CHRNB2CHRNA4YAP1 | |
| SCHEMBL3356704 | 0.77 | CHRNB2 (0.44) | JAK2CHRNB2CHRNA4YAP1 | |
| SCHEMBL2184886 | 0.76 | SLC5A1 (0.31) | — | |
| SCHEMBL2185877 | 0.75 | CFD (0.44) | AKT1CHRNB2CHRNA4ABL1 | |
| SCHEMBL2186288 | 0.75 | CYP4F2 (0.40) | AKT1CDK8CHRNB2CHRNA4 |
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-2342192-A2 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | Psychogenics Inc. (US) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010045212-A2 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | PSYCHOGENICS, INCSTATUTS (US) | 2010-04-22 | — | — | WO | disclosed |