Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.52 |
| ▸ | CCR5 | P51681 | 1/20 | 0.52 |
| ▸ | CCR8 | P51685 | 1/20 | 0.52 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | MC3R | P41968 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | CCNC | P24863 | 2/20 | 0.42 |
| ▸ | CDK8 | P49336 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL106576 | 1.00 | CCR1 (0.52) | CCR1CCR5CCR8PLAUKDM4E | |
| Hydrochloric Acid SCHEMBL27602050 | 0.98 | CCR1 (0.50) | CCR1CCR5CCR8PLAUKDM4E | |
| SCHEMBL27880244 | 0.86 | ADORA3 (0.41) | CCR1CCR5CCR8PLAUKDM4E | |
| SCHEMBL27772527 | 0.81 | MKNK1 (0.51) | PARP1CCNCCDK8PIK3CBGRM2 | |
| SCHEMBL397492 | 0.81 | ALDH1A1 (0.52) | CCR1CCR5CCR8PLAUKDM4E | |
| SCHEMBL29971476 | 0.81 | ALDH1A1 (0.52) | CCR1CCR5CCR8PLAUKDM4E | |
| SCHEMBL111587 | 0.81 | KDM4E (0.61) | CCR1CCR5CCR8KDM4EMEN1 | |
| SCHEMBL29758442 | 0.81 | KDM4E (0.61) | CCR1CCR5CCR8KDM4EMEN1 | |
| SCHEMBL23019932 | 0.79 | UHRF1 (0.46) | CCR1CCR5CCR8PLAUKDM4E | |
| SCHEMBL2272913 | 0.79 | KDM4E (0.59) | CCR1CCR5CCR8KDM4EMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111601790-B | Heteroaryl compounds as protein kinase inhibitors | 福建海西新药创制股份有限公司 | 2023-03-31 | — | — | CN | claimed |
| CN-111601790-B | Heteroaryl compounds as protein kinase inhibitors | 福建海西新药创制股份有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-106117213-B | Heteroaryl compounds and methods for their synthesis and purification | 西格诺药品有限公司 | 2022-03-18 | — | — | CN | disclosed |