Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 6/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.38 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.38 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PAK4 | O96013 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | IGF1R | P08069 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6826464 | 0.80 | PARP1 (0.50) | PARP1IP6K1BRD4MAP2K1AURKA | |
| SCHEMBL6924489 | 0.80 | ABCC1 (0.41) | HTTIP6K1IP6K3IP6K2BRD4 | |
| SCHEMBL6925074 | 0.77 | IP6K1 (0.40) | PARP1IP6K1BRD4MAP2K1AURKA | |
| SCHEMBL6826241 | 0.76 | ABCC1 (0.43) | HTTPARP1IP6K1BRD4 | |
| SCHEMBL6922477 | 0.75 | GAA (0.35) | PARP1MAP2K1AURKAJAK2PRKD3 | |
| SCHEMBL6826311 | 0.71 | MAP3K7 (0.46) | PARP1GAA | |
| SCHEMBL18030917 | 0.70 | IMPDH2 (0.46) | HTTMAP2K1GAA | |
| SCHEMBL6819044 | 0.70 | HTT (0.54) | HTTPARP1IP6K1IP6K3IP6K2 | |
| SCHEMBL6924053 | 0.69 | PARP1 (0.40) | PARP1IP6K1IP6K3IP6K2MCL1 | |
| SCHEMBL6922877 | 0.69 | HSD17B10 (0.43) | HTTBRD4GAA |
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 |