Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.38 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.38 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | KDM4A | O75164 | 4/20 | 0.36 |
| ▸ | KDM4B | O94953 | 4/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 4/20 | 0.36 |
| ▸ | KDM5C | P41229 | 3/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.33 |
| ▸ | CDC42BPB | Q9Y5S2 | 3/20 | 0.33 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 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 | |
|---|---|---|---|---|
| SCHEMBL6923430 | 0.80 | HTT (0.43) | HTTIP6K1IP6K3IP6K2BRD4 | |
| SCHEMBL6924828 | 0.76 | ABCC1 (0.37) | ABCC1DPP4PIM1CDK9 | |
| SCHEMBL6924927 | 0.74 | ABCC1 (0.48) | ABCC1PIM1CDK9DYRK1A | |
| SCHEMBL6819044 | 0.70 | HTT (0.54) | HTTIP6K1IP6K3IP6K2BRD4 | |
| SCHEMBL6822370 | 0.67 | HTT (0.51) | HTTIP6K1IP6K3IP6K2BRD4 | |
| SCHEMBL3938948 | 0.67 | HTT (0.48) | HTTBRD4ALDH1A1 | |
| SCHEMBL7127849 | 0.66 | ADORA3 (0.47) | ABCC1HTTIP6K1IP6K3IP6K2 | |
| SCHEMBL20187962 | 0.65 | HTT (0.43) | HTTIP6K1IP6K3IP6K2BRD4 | |
| SCHEMBL6920666 | 0.64 | HTT (0.46) | HTTIP6K1IP6K3IP6K2BRD4 | |
| SCHEMBL6826464 | 0.64 | PARP1 (0.50) | IP6K1BRD4KDM4AKDM4BKDM5B |
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-2004111052-A1 | PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) | XENOVA LIMITED (GB) | 2004-12-23 | — | — | WO | disclosed |