Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 14/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18216488 | 0.90 | HPGD (0.42) | HPGDDRD4POLBDRD3CHRM4 | |
| SCHEMBL18216253 | 0.87 | HPGD (0.46) | HPGDDRD4POLBCHRM4 | |
| SCHEMBL18216438 | 0.87 | HPGD (0.55) | HPGDDRD4POLBCHRM4GSK3A | |
| SCHEMBL18216419 | 0.83 | HPGD (0.42) | HPGDDRD4POLBCHRM4GSK3A | |
| SCHEMBL18216474 | 0.83 | HPGD (0.45) | HPGDDRD4POLBDRD3CHRM4 | |
| SCHEMBL18208293 | 0.82 | CCNA2 (0.41) | HPGDDRD4POLBDRD3CHRM4 | |
| SCHEMBL18208291 | 0.82 | CCNA2 (0.41) | HPGDDRD4POLBDRD3CHRM4 | |
| SCHEMBL18216078 | 0.82 | HPGD (0.47) | HPGDDRD4POLBCHRM4GSK3A | |
| SCHEMBL18216085 | 0.81 | HPGD (0.40) | HPGDDRD4POLBDRD3CHRM4 | |
| SCHEMBL18216432 | 0.80 | HPGD (0.42) | HPGDDRD4POLBDRD3CHRM4 |
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-2016177658-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-11-10 | — | — | WO | disclosed |