Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 5/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL58303 | 0.88 | MAPK1 (0.61) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL29397209 | 0.88 | MAPK1 (0.61) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| Tetrahydrofuran SCHEMBL28675347 | 0.81 | AR (0.41) | — | |
| SCHEMBL8593598 | 0.77 | MAPK1 (0.47) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL856525 | 0.76 | MAPK1 (0.61) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL10788009 | 0.74 | MAPK1 (0.63) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| Tetrahydrofuran SCHEMBL28101791 | 0.74 | MAPK1 (0.44) | MAPK1TDP1KMT2ACYP1A2SMN1; SMN2 | |
| SCHEMBL1555041 | 0.73 | MAPK1 (0.47) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL881834 | 0.72 | HTR3E (0.56) | MAPK1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL3837474 | 0.72 | MAPK1 (0.42) | MAPK1TDP1HTR3EHTR3BHTR3A |
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-109438337-B | A kind of preparation process of Rui Gefeini intermediate | 广东安诺药业股份有限公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-109438337-A | A kind of preparation process of Rui Gefeini intermediate | 广东安诺药业股份有限公司 | 2019-03-08 | — | — | CN | disclosed |