Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 13/20 | 0.44 |
| ▸ | AVPR2 | P30518 | 4/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | OXTR | P30559 | 3/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2543946 | 0.90 | AVPR1A (0.55) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2543951 | 0.90 | AVPR1A (0.55) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2580824 | 0.85 | AVPR1A (0.50) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2579642 | 0.85 | AVPR1A (0.48) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2578240 | 0.84 | AVPR1A (0.50) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2582650 | 0.83 | AVPR1A (0.51) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2547037 | 0.80 | AVPR1A (0.55) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2537053 | 0.80 | AVPR1A (0.55) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2537051 | 0.80 | AVPR1A (0.55) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2581562 | 0.80 | AVPR1A (0.43) | AVPR1AAVPR2KCNH2OXTR |
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-2571879-A1 | HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-27 | — | — | EP | disclosed |
| WO-2011134877-A1 | HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-03 | — | — | WO | disclosed |