Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.50 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.45 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PNP | P00491 | 3/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | PAK4 | O96013 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | CSF1R | P07333 | 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 | |
|---|---|---|---|---|
| SCHEMBL6826589 | 0.78 | PARP1 (0.54) | PARP1KDM4EHPGDCHEK1CDK4 | |
| SCHEMBL6924053 | 0.75 | PARP1 (0.40) | PARP1IP6K1PNPCHEK1CDK4 | |
| SCHEMBL6826267 | 0.74 | PARP1 (0.43) | PARP1CHEK1CDK4SRCCCND1 | |
| SCHEMBL453514 | 0.74 | PARP1 (0.72) | PARP1NAPRTDHODHKDM4EHPGD | |
| SCHEMBL13647387 | 0.73 | PARP1 (0.58) | PARP1IP6K1NAPRTKDM4EACVR1 | |
| SCHEMBL667427 | 0.73 | PARP1 (0.58) | PARP1IP6K1NAPRTKDM4EHPGD | |
| Hydrochloric Acid SCHEMBL2129546 | 0.72 | PARP1 (0.70) | PARP1NAPRTDHODHKDM4EHPGD | |
| SCHEMBL9218238 | 0.72 | PARP1 (0.70) | PARP1NAPRTDHODHKDM4EHPGD | |
| Hydrochloric Acid SCHEMBL22165594 | 0.72 | PARP1 (0.70) | PARP1NAPRTDHODHKDM4EHPGD | |
| SCHEMBL28284556 | 0.72 | PARP1 (0.70) | PARP1NAPRTDHODHKDM4EHPGD |
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 |