Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13953551 | 0.85 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL19446472 | 0.81 | CYP17A1 (0.36) | CYP17A1CYP11B1CYP11B2AKR1C3AKR1C2 | |
| SCHEMBL18763958 | 0.79 | ESR1 (0.35) | ESR1ESR2GCGR | |
| SCHEMBL19853074 | 0.78 | SHBG (0.39) | ESR1ESR2AKR1C3AKR1C2 | |
| SCHEMBL19012003 | 0.78 | AKR1C3 (0.35) | CYP17A1AKR1C3AKR1C2RARBRARA | |
| SCHEMBL19542225 | 0.77 | NR1I2 (0.39) | ESR1ESR2GCGR | |
| SCHEMBL15727940 | 0.76 | ANPEP (0.39) | CYP17A1ESR1ESR2 | |
| SCHEMBL21784989 | 0.75 | SLC6A4 (0.46) | CYP17A1CYP11B1CYP11B2AKR1C3AKR1C2 | |
| SCHEMBL12570860 | 0.75 | AKR1C3 (0.45) | CYP17A1CYP11B1CYP11B2AKR1C3AKR1C2 | |
| SCHEMBL13086684 | 0.74 | ESR1 (0.47) | ESR1ESR2 |
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-2020407-A1 | 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF | Chisso Corporation (JP) | 2009-02-04 | — | — | EP | disclosed |