Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 2/20 | 0.31 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2346991 | 0.90 | SLC6A4 (0.32) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2339933 | 0.87 | IDH1 (0.31) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2341614 | 0.87 | AVPR2 (0.32) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL14831776 | 0.83 | — | — | |
| SCHEMBL2472145 | 0.83 | AVPR2 (0.34) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2336887 | 0.82 | PDE4B (0.36) | AVPR1A | |
| Hydrochloric Acid SCHEMBL2340976 | 0.82 | — | — | |
| SCHEMBL2472826 | 0.82 | AVPR1A (0.39) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL2563323 | 0.79 | AVPR1A (0.33) | AVPR1A | |
| SCHEMBL2563008 | 0.78 | AVPR1A (0.36) | AVPR1AAVPR2KCNH2 |
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-2358714-A1 | ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES | F. Hoffmann-La Roche AG (CH) | 2011-08-24 | — | — | EP | claimed |
| WO-2010057795-A1 | ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-27 | — | — | WO | claimed |
| EP-2358714-A1 | ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES | F. Hoffmann-La Roche AG (CH) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010057795-A1 | ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-27 | — | — | WO | disclosed |