Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 3/20 | 0.65 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 6/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28081600 | 0.86 | MAPT (0.49) | METPIK3C3 | |
| SCHEMBL28074661 | 0.83 | MET (0.46) | METPIK3C3SLC6A2NAMPT | |
| SCHEMBL3889418 | 0.79 | MET (1.00) | METPIK3C3HTR6 | |
| SCHEMBL16913783 | 0.77 | MET (0.62) | METPIK3C3HTR6HDAC3HDAC4 | |
| SCHEMBL28128723 | 0.77 | MET (0.47) | METHTR6HDAC3HDAC4HDAC1 | |
| SCHEMBL1093217 | 0.76 | RPS6KA5 (0.40) | MET | |
| SCHEMBL3890925 | 0.75 | MET (0.58) | METPIK3C3HTR6HDAC3HDAC4 | |
| SCHEMBL28049211 | 0.73 | MET (0.54) | METPIK3C3HTR6SLC6A2FFAR2 | |
| SCHEMBL28128689 | 0.72 | FFAR2 (0.56) | METPIK3C3HTR6HDAC3HDAC4 | |
| SCHEMBL4494776 | 0.70 | HTR6 (0.58) | METPIK3C3HTR6 |
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-102665718-B | Heterocyclic compounds useful as PDK1 inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-03-09 | — | — | CN | disclosed |