Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 8/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGAV | P06756 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.36 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17396988 | 1.00 | AKR1B1 (0.41) | AKR1B1PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL17396984 | 0.83 | AKR1B1 (0.44) | AKR1B1ITGB3ITGB2ITGB1ITGAV | |
| SCHEMBL17396985 | 0.83 | AKR1B1 (0.44) | AKR1B1ITGB3ITGB2ITGB1ITGAV | |
| SCHEMBL20537362 | 0.83 | AKR1B1 (0.44) | AKR1B1ITGB3ITGB2ITGB1ITGAV | |
| SCHEMBL17363928 | 0.70 | FFAR1 (0.40) | AKR1B1ITGB3ITGB2ITGB1ITGAV | |
| SCHEMBL17363828 | 0.70 | FFAR1 (0.40) | AKR1B1ITGB3ITGB2ITGB1ITGAV | |
| SCHEMBL17363943 | 0.70 | FFAR1 (0.40) | AKR1B1ITGB3ITGB2ITGB1ITGAV | |
| SCHEMBL13296078 | 0.70 | SMN1; SMN2 (0.45) | AKR1B1PNMT | |
| SCHEMBL30664932 | 0.70 | SMN1; SMN2 (0.45) | AKR1B1PNMT | |
| SCHEMBL9245560 | 0.68 | PNMT (0.44) | PNMTADRA2AADRA2BADRA2CITGB3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3160948-A1 | BENZOXAZINONE AMIDES AS MINERALOCORTICOID RECEPTOR MODULATORS | Astrazeneca AB (SE) | 2017-05-03 | — | — | EP | disclosed |
| WO-2016001631-A1 | BENZOXAZINONE AMIDES AS MINERALOCORTICOID RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2016-01-07 | — | — | WO | disclosed |