Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.52 |
| ▸ | NOS2 | P35228 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 4/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | USP7 | Q93009 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL5319523 | 0.81 | NOS2 (0.44) | NOS3NOS2NPC1RAB9AKDR | |
| SCHEMBL11901650 | 0.80 | MAP4K4 (0.46) | NOS3NOS2NPC1RAB9AKDR | |
| SCHEMBL17555671 | 0.80 | CDK2 (0.43) | NOS3NOS2KDRLRRK2MAP4K4 | |
| SCHEMBL1823930 | 0.79 | DYRK1A (0.53) | NOS3NOS2MEN1KMT2ANPC1 | |
| SCHEMBL1165179 | 0.79 | GSK3B (0.47) | NOS3NOS2KDRLRRK2MAP4K4 | |
| SCHEMBL5973721 | 0.79 | MAPT (0.47) | NOS3NOS2MEN1KMT2ANPC1 | |
| SCHEMBL11901043 | 0.78 | MAP4K4 (0.48) | NOS3NOS2MEN1KMT2ANPC1 | |
| Iodide SCHEMBL31385461 | 0.78 | MAPT (0.46) | NOS3NOS2MEN1KMT2ANPC1 | |
| SCHEMBL4582572 | 0.76 | MKNK1 (0.59) | NOS3NOS2MEN1KMT2ANPC1 | |
| SCHEMBL3243063 | 0.76 | KIF11 (0.47) | NOS3NOS2MAP4K4GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-108640872-B | GSK-3 inhibitor and preparation method and application thereof | 山东大学 | 2020-04-07 | — | — | CN | disclosed |
| WO-2012146667-A1 | IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS | ALMIRALL, S.A. (ES) | 2012-11-01 | — | — | WO | disclosed |