Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | TBK1 | Q9UHD2 | 17/20 | 0.47 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19004876 | 0.90 | NPSR1 (0.52) | POLBTBK1IKBKENPSR1HSP90AA1 | |
| SCHEMBL18985710 | 0.88 | TBK1 (0.47) | TBK1IKBKE | |
| SCHEMBL19004877 | 0.82 | TBK1 (0.62) | TBK1IKBKECCNT1CDK9 | |
| SCHEMBL19004879 | 0.81 | TBK1 (0.45) | TBK1IKBKECCNT1CDK9 | |
| SCHEMBL4235671 | 0.80 | ALDH1A1 (0.63) | POLBNPSR1HSP90AA1ESR2TDP1 | |
| SCHEMBL18985420 | 0.80 | TBK1 (0.57) | TBK1IKBKECCNT1CDK9 | |
| SCHEMBL18985777 | 0.78 | KDM4E (0.48) | TBK1IKBKE | |
| SCHEMBL19004994 | 0.78 | TBK1 (0.66) | TBK1IKBKE | |
| SCHEMBL18985814 | 0.78 | TBK1 (0.79) | TBK1 | |
| SCHEMBL4244217 | 0.76 | AKR1C3 (0.52) | POLBNPSR1HSP90AA1ESR2TDP1 |
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-2017102091-A1 | HETEROARYLBENZIMIDAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-22 | — | — | WO | disclosed |