Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | 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 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24233802 | 0.78 | MEN1 (0.36) | CYP17A1 | |
| SCHEMBL19775721 | 0.77 | ANPEP (0.38) | CYP17A1GRIA4 | |
| SCHEMBL19446469 | 0.75 | ANPEP (0.39) | CYP17A1 | |
| SCHEMBL19443988 | 0.74 | ADRB2 (0.43) | — | |
| SCHEMBL12570860 | 0.74 | AKR1C3 (0.45) | CYP17A1CYP11B1CYP11B2AKR1C3AKR1C2 | |
| SCHEMBL21784989 | 0.73 | SLC6A4 (0.46) | CYP17A1CYP11B1CYP11B2AKR1C3AKR1C2 | |
| SCHEMBL13953355 | 0.73 | CYP17A1 (0.41) | CYP17A1CYP11B1CYP11B2AKR1C3AKR1C2 | |
| SCHEMBL12656437 | 0.73 | GRIA2 (0.50) | CYP11B2CTSLCTSBCTSSCTSK | |
| SCHEMBL19446472 | 0.73 | CYP17A1 (0.36) | CYP17A1CYP11B1CYP11B2AKR1C3AKR1C2 | |
| SCHEMBL20976665 | 0.72 | ANPEP (0.41) | — |
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-3656757-A1 | COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2020-05-27 | — | — | EP | disclosed |