Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL29968130 | 0.77 | POLB (0.44) | PARP1POLB | |
| SCHEMBL28871299 | 0.77 | POLB (0.44) | PARP1POLB | |
| SCHEMBL6810627 | 0.76 | POLB (0.43) | PARP1POLB | |
| Hydrochloric Acid SCHEMBL8814858 | 0.72 | POLB (0.45) | PARP1POLB | |
| SCHEMBL12350686 | 0.71 | PARP1 (0.52) | PARP1KDM4EPOLB | |
| SCHEMBL3333302 | 0.71 | TP53 (0.44) | PARP1KDM4EDCTPP1DHFRTP53 | |
| SCHEMBL6755252 | 0.70 | MGAM (0.45) | POLB | |
| SCHEMBL6756137 | 0.70 | CBFB (0.42) | PARP1POLB | |
| SCHEMBL1706695 | 0.70 | RAB9A (0.53) | PARP1KDM4EPOLBTP53 | |
| Benzene SCHEMBL28277475 | 0.69 | POLB (0.77) | PARP1POLB |
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-2004113351-A2 | BIFUNCTIONAL AMINO-BORON LEWIS ACID - LEWIS BASE CATALYST | UNIVERSITY OF DURHAM (GB) | 2004-12-29 | — | — | WO | disclosed |