Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.38 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 2/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28506403 | 1.00 | AKR1C3 (0.42) | AKR1C3DDR1RETHRH3KIF18A | |
| SCHEMBL28506133 | 0.94 | PDE10A (0.43) | AKR1C3DDR1HRH3PDE10AKDM4D | |
| SCHEMBL28508706 | 0.94 | PDE10A (0.43) | AKR1C3DDR1HRH3PDE10AKDM4D | |
| SCHEMBL27128619 | 0.89 | DDR1 (0.41) | DDR1RETKIF18APDE10AKDM4D | |
| SCHEMBL27128597 | 0.89 | NPC1 (0.42) | DDR1RETKIF18APDE10AKDM4D | |
| SCHEMBL27139761 | 0.89 | DDR1 (0.41) | DDR1RETKIF18APDE10AKDM4D | |
| SCHEMBL28504211 | 0.88 | AKR1C3 (0.46) | AKR1C3DDR1PDE10AKDM4DLMNA | |
| SCHEMBL24628490 | 0.82 | PDE10A (0.45) | DDR1PDE10AKDM4DHSD11B1GRM5 | |
| SCHEMBL29772858 | 0.82 | PDE10A (0.45) | DDR1PDE10AKDM4DHSD11B1GRM5 | |
| SCHEMBL29772884 | 0.82 | PDE10A (0.45) | DDR1PDE10AKDM4DHSD11B1GRM5 |
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-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-01-19 | — | — | CN | disclosed |