Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2559362 | 0.99 | OPRK1 (0.37) | OPRK1PDE4DCYP11B2 | |
| Hydrochloric Acid SCHEMBL2558245 | 0.90 | CYP11B2 (0.32) | CYP11B2 | |
| Hydrochloric Acid SCHEMBL2551927 | 0.88 | OPRK1 (0.31) | OPRK1PDE4D | |
| SCHEMBL2559968 | 0.87 | HSD11B1 (0.37) | CYP11B2CYP11B1 | |
| SCHEMBL2556719 | 0.87 | APP (0.31) | OPRK1PDE4D | |
| Hydrochloric Acid SCHEMBL2559948 | 0.87 | APP (0.31) | OPRK1PDE4D | |
| Hydrochloric Acid SCHEMBL2558784 | 0.86 | HSD11B1 (0.37) | CYP11B2 | |
| Hydrochloric Acid SCHEMBL2561790 | 0.84 | CYP11B2 (0.32) | CYP11B2CYP11B1 | |
| SCHEMBL2556274 | 0.84 | CYP11B2 (0.32) | CYP11B2CYP11B1 | |
| SCHEMBL2560463 | 0.83 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2558467-A1 | ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E]AZULENES AS VASOPRESSIN ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | claimed |
| WO-2011128265-A1 | ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E] AZULENES AS VASOPRESSIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | claimed |
| EP-2558467-A1 | ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E]AZULENES AS VASOPRESSIN ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128265-A1 | ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E] AZULENES AS VASOPRESSIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |