Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.39 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PAK4 | O96013 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | LTK | P29376 | 1/20 | 0.38 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 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 | |
|---|---|---|---|---|
| SCHEMBL28049121 | 0.73 | MET (0.65) | METSLC6A2HTR6HTR2AFFAR2 | |
| SCHEMBL7021288 | 0.70 | LRRK2 (0.63) | METBRAFTNNI3KLRRK2PRKD3 | |
| SCHEMBL3889418 | 0.70 | MET (1.00) | METHTR6LRRK2MAP2K1PIK3C3 | |
| SCHEMBL15618922 | 0.70 | MET (0.49) | METSLC6A2HTR6HTR2AALDH1A1 | |
| SCHEMBL12613168 | 0.69 | MET (0.45) | METSLC6A2HTR6HTR2AALDH1A1 | |
| SCHEMBL7144417 | 0.68 | HTR6 (0.52) | METSLC6A2HTR6KDM4EALDH1A1 | |
| SCHEMBL25269193 | 0.68 | HSP90AA1 (0.46) | KDM4EALDH1A1 | |
| SCHEMBL2679105 | 0.68 | BTK (0.59) | — | |
| SCHEMBL31570707 | 0.67 | TUBB4A (0.42) | METLRRK2PRKD3MAP4K4PAK4 | |
| SCHEMBL28128387 | 0.67 | HTR6 (0.50) | METHTR6FFAR2 |
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 |