Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | GLI1 | P08151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29907711 | 1.00 | NOS2 (0.36) | NOS2NOS3NOS1KMT2AKDM4E | |
| SCHEMBL29907713 | 1.00 | NOS2 (0.36) | NOS2NOS3NOS1KMT2AKDM4E | |
| SCHEMBL29907813 | 1.00 | NOS2 (0.36) | NOS2NOS3NOS1KMT2AKDM4E | |
| SCHEMBL26088434 | 0.82 | MEN1 (0.40) | KMT2AMAPTMEN1BLM | |
| SCHEMBL22368106 | 0.82 | MEN1 (0.40) | KMT2AMAPTMEN1BLM | |
| SCHEMBL26088431 | 0.82 | MEN1 (0.40) | KMT2AMAPTMEN1BLM | |
| SCHEMBL21794634 | 0.80 | SLC6A2 (0.35) | KMT2AMEN1BLM | |
| SCHEMBL18991730 | 0.79 | — | — | |
| SCHEMBL6819028 | 0.79 | — | — | |
| SCHEMBL20327088 | 0.77 | SLC6A3 (0.33) | KMT2AMAPTMEN1BLM |
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 |
|---|---|---|---|---|---|---|---|
| EP-3677583-A1 | NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2020-07-08 | — | — | EP | disclosed |
| WO-2019042409-A1 | NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION | 上海医药集团股份有限公司 | 2019-03-07 | — | — | WO | disclosed |