Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.46 |
| ▸ | KIF11 | P52732 | 2/20 | 0.45 |
| ▸ | AR | P10275 | 3/20 | 0.40 |
| ▸ | TNKS | O95271 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | PARP6 | Q2NL67 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.38 |
| ▸ | PARP8 | Q8N3A8 | 1/20 | 0.38 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.38 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.38 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.36 |
| ▸ | PTAFR | P25105 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29335336 | 0.83 | KIF11 (0.47) | ESR1ESR2KIF11AR | |
| SCHEMBL20826225 | 0.80 | KIF11 (0.45) | ESR1ESR2KIF11ARKLF10 | |
| SCHEMBL26939102 | 0.80 | KIF11 (0.45) | ESR1ESR2KIF11ARKLF10 | |
| SCHEMBL9910783 | 0.78 | ESR1 (0.43) | ESR1ESR2KIF11ARTNKS | |
| SCHEMBL17805402 | 0.78 | ESR1 (0.47) | ESR1ESR2TNKSPARP1TNKS2 | |
| SCHEMBL12051657 | 0.78 | ESR1 (0.44) | ESR1ESR2KIF11ARSLC6A3 | |
| SCHEMBL20717777 | 0.78 | ESR1 (0.62) | ESR1ESR2KIF11ARKLF10 | |
| SCHEMBL10268650 | 0.78 | KIF11 (0.46) | ESR1ESR2KIF11 | |
| SCHEMBL13974838 | 0.75 | VDR (0.36) | ESR1ESR2ARTNKSPARP1 | |
| SCHEMBL30033480 | 0.74 | ESR1 (0.39) | ESR1ESR2MAP3K5GABRA1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2651899-B1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2017-05-31 | — | — | EP | disclosed |