Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.49 |
| ▸ | HTR3B | O95264 | 1/20 | 0.49 |
| ▸ | HTR3A | P46098 | 1/20 | 0.49 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.49 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 7/20 | 0.45 |
| ▸ | GAK | O14976 | 3/20 | 0.45 |
| ▸ | TDO2 | P48775 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15522255 | 1.00 | ROCK1 (0.49) | ROCK1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL3211816 | 0.80 | HTR3E (0.72) | ROCK1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL28285702 | 0.80 | SYK (0.47) | EGFRGAKTDO2IDO1SYK | |
| SCHEMBL657019 | 0.78 | SYK (0.70) | ROCK1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL14447584 | 0.78 | ROCK1 (0.60) | ROCK1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL13166085 | 0.78 | NFKB1 (0.58) | ROCK1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL1027634 | 0.78 | ROCK1 (0.52) | ROCK1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL19089362 | 0.78 | KDR (0.54) | ROCK1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL3988183 | 0.76 | AURKA (0.65) | ROCK1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL2849200 | 0.76 | TLR4 (0.47) | EGFRGAKTDO2IDO1ABCG2 |
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-112574177-B | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2023-01-31 | — | — | CN | disclosed |