Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | SCN4A | P35499 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17045019 | 0.83 | CNR2 (0.47) | CNR2GRM5NOTUMIDO1P2RX7 | |
| SCHEMBL4451568 | 0.82 | NOTUM (0.46) | CNR2GRM5NOTUMIDO1P2RX7 | |
| SCHEMBL1586221 | 0.81 | CYP19A1 (0.55) | GRM5IDO1CYP19A1CYP2D6MAPK1 | |
| SCHEMBL4564446 | 0.79 | GRM5 (0.42) | CNR2GRM5P2RX7CYP2D6MAOA | |
| SCHEMBL25348324 | 0.78 | KMO (0.47) | CNR2GRM5CYP19A1CYP2D6MAPK1 | |
| SCHEMBL24181635 | 0.78 | PSMD14 (0.41) | CNR2GRM5CYP19A1P2RX7CYP2D6 | |
| SCHEMBL440943 | 0.77 | TSHR (0.52) | CNR2NOTUMIDO1P2RX7CYP2D6 | |
| SCHEMBL28331391 | 0.77 | GRM5 (0.62) | GRM5IDO1P2RX7MAPK1BLM | |
| Methyl Alcohol SCHEMBL10573076 | 0.76 | CYP19A1 (0.50) | GRM5CYP19A1CYP2D6MAPK1TSHR | |
| SCHEMBL1429685 | 0.75 | CYP1A2 (0.43) | CNR2GRM5P2RX7CYP2D6MAOA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105461699-B | Substituted heterocyclic compound and its application method and purposes | 广东东阳光药业有限公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-107396929-A | Fluopyram is used to prevent and treat the nematode in crop and improves the purposes of yield | 拜耳知识产权有限责任公司 | 2017-11-28 | — | — | CN | disclosed |
| EP-1546115-A2 | SUBSTITUTED PYRIMIDINES | Merck & Co., Inc. (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004029204-A2 | SUBSTITUTED PYRIMIDINES | MERCK & CO., INC. (US) | 2004-04-08 | — | — | WO | disclosed |
| CN-1326317-A | Combinations of herbicides and safeners | AVENTIS CROPSCIENCE GMBH (DE) | 2001-12-12 | — | — | CN | disclosed |