Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 8/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | 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 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 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 | |
|---|---|---|---|---|
| SCHEMBL6826311 | 0.83 | MAP3K7 (0.46) | PARP1 | |
| SCHEMBL6922877 | 0.81 | HSD17B10 (0.43) | BRD4 | |
| SCHEMBL6826464 | 0.80 | PARP1 (0.50) | IP6K1PARP1BRD4AURKADAPK3 | |
| SCHEMBL6923430 | 0.77 | HTT (0.43) | IP6K1PARP1BRD4AURKADAPK3 | |
| SCHEMBL6826241 | 0.76 | ABCC1 (0.43) | IP6K1PARP1BRD4 | |
| SCHEMBL13647387 | 0.70 | PARP1 (0.58) | IP6K1PARP1NAPRTACVR1DYRK1A | |
| SCHEMBL667427 | 0.70 | PARP1 (0.58) | IP6K1PARP1NAPRTAURKADAPK3 | |
| SCHEMBL6922360 | 0.69 | PARP1 (0.50) | IP6K1PARP1DHODHNAPRTAURKA | |
| SCHEMBL12346519 | 0.66 | PDPK1 (0.47) | PARP1BRD4AURKADAPK3PRKD3 | |
| SCHEMBL20595409 | 0.65 | KDM4E (0.53) | PARP1 |
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 |