Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TBK1 | Q9UHD2 | 15/20 | 0.48 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19005014 | 0.90 | POLB (0.51) | NPSR1POLBTBK1IKBKEHSP90AA1 | |
| SCHEMBL18985777 | 0.88 | KDM4E (0.48) | TBK1IKBKE | |
| SCHEMBL19004877 | 0.83 | TBK1 (0.62) | TBK1IKBKECCNT1CDK9 | |
| SCHEMBL4235671 | 0.81 | ALDH1A1 (0.63) | NPSR1POLBHSP90AA1ESR2TDP1 | |
| SCHEMBL18985935 | 0.81 | TBK1 (0.59) | TBK1IKBKECCNT1CDK9 | |
| Hydrochloric Acid SCHEMBL18985421 | 0.80 | TBK1 (0.58) | TBK1IKBKECCNT1CDK9 | |
| SCHEMBL18985814 | 0.79 | TBK1 (0.79) | TBK1 | |
| SCHEMBL18985710 | 0.78 | TBK1 (0.47) | TBK1IKBKE | |
| SCHEMBL19004994 | 0.77 | TBK1 (0.66) | TBK1IKBKE | |
| SCHEMBL4244217 | 0.77 | AKR1C3 (0.52) | NPSR1POLBHSP90AA1ESR2TDP1 |
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 |