Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15606575 | 0.74 | NOS3 (0.52) | NOS3NOS1NOS2PIK3C3KDM4E | |
| SCHEMBL18793097 | 0.74 | NOS3 (0.52) | NOS3NOS1NOS2CYP2A6PARP1 | |
| SCHEMBL22369069 | 0.71 | NOS3 (0.44) | NOS3NOS1NOS2CYP2A6OPRK1 | |
| SCHEMBL22014563 | 0.70 | NAMPT (0.39) | PIK3C3CNR2 | |
| SCHEMBL24081049 | 0.70 | BMPR1B (0.53) | — | |
| SCHEMBL24354700 | 0.70 | NOS3 (0.47) | NOS3NOS1NOS2CYP2A6PARP1 | |
| SCHEMBL24081071 | 0.68 | PHF13 (0.40) | KMT2AHTTKDM4EMEN1SMN1; SMN2 | |
| SCHEMBL13199604 | 0.67 | NOS3 (0.52) | NOS3NOS1NOS2PIK3C3KDM4E | |
| SCHEMBL8171684 | 0.67 | NOS3 (0.52) | NOS3NOS1NOS2KMT2AKDM4E | |
| SCHEMBL31332287 | 0.67 | NOS3 (0.52) | NOS3NOS1NOS2KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3919490-A1 | FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR | Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) | 2021-12-08 | — | — | EP | disclosed |