Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 7/20 | 0.44 |
| ▸ | NOS1 | P29475 | 7/20 | 0.44 |
| ▸ | NOS2 | P35228 | 5/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 0.38 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | WEE1 | P30291 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21641744 | 1.00 | PRKCI (0.46) | PRKCINOS3NOS1NOS2HTR2B | |
| SCHEMBL30271234 | 0.92 | PRKCI (0.49) | PRKCINOS3NOS1NOS2KDM4E | |
| SCHEMBL21641745 | 0.92 | PRKCI (0.49) | PRKCINOS3NOS1NOS2KDM4E | |
| SCHEMBL12367572 | 0.89 | NOS3 (0.54) | PRKCINOS3NOS1NOS2KDM4E | |
| SCHEMBL3355266 | 0.89 | NOS3 (0.45) | PRKCINOS3NOS1NOS2HTR2B | |
| SCHEMBL31735587 | 0.86 | PRKCI (0.54) | PRKCINOS3NOS1NOS2KDM4E | |
| SCHEMBL2266494 | 0.83 | PRKCI (0.51) | PRKCINOS3NOS1NOS2BRPF1 | |
| SCHEMBL30594683 | 0.83 | PRKCI (0.51) | PRKCINOS3NOS1NOS2BRPF1 | |
| SCHEMBL21671897 | 0.82 | NOS3 (0.41) | NOS3NOS1NOS2HTR2BTMEM97 | |
| SCHEMBL28192868 | 0.79 | PRKCI (0.52) | PRKCINOS3NOS1NOS2KDM4E |
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-108623615-B | Macrocyclic derivatives of pyrazolo [3,4-d ] pyrimidin-3-one, pharmaceutical compositions and uses thereof | 上海迪诺医药科技有限公司 | 2022-12-13 | — | — | CN | disclosed |