Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24920770 | 0.80 | PDE10A (0.42) | CCR1CCR5CCR8ROCK1NOS3 | |
| SCHEMBL19132920 | 0.75 | KDM4E (0.44) | ADORA2AADORA1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL24142971 | 0.74 | PDE10A (0.41) | BRD4BRD2BRD3CREBBPMAPK10 | |
| SCHEMBL24920393 | 0.73 | CCR1 (0.53) | CCR1CCR5CCR8ROCK1NOS3 | |
| SCHEMBL24921064 | 0.73 | SORD (0.38) | ADORA2AADORA2BADORA1RAB9AKDM4E | |
| SCHEMBL7492849 | 0.73 | SUV39H2 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL24921163 | 0.71 | ALOX5 (0.50) | MAPTKDM4EALDH1A1 | |
| SCHEMBL24921467 | 0.71 | PIK3CA (0.36) | ADORA2AADORA1CYP1A2 | |
| SCHEMBL15935018 | 0.70 | MAPT (0.54) | CCR1CCR5CCR8ROCK1ADORA2A | |
| SCHEMBL9368732 | 0.70 | HRH3 (0.59) | CYP1A2CYP3A4TDP1MAPK1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023006097-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER | 海创药业股份有限公司 | 2023-02-02 | — | — | WO | disclosed |