Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 16/20 | 0.48 |
| ▸ | AVPR2 | P30518 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | OXTR | P30559 | 2/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3400510 | 0.94 | AVPR1A (0.50) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL3400200 | 0.92 | AVPR2 (0.44) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL3404416 | 0.90 | AVPR1A (0.53) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL3400345 | 0.90 | AVPR1A (0.53) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL3404791 | 0.90 | AVPR2 (0.46) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL3399347 | 0.88 | AVPR1A (0.45) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL3402944 | 0.88 | AVPR1A (0.48) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL12761125 | 0.88 | AVPR2 (0.42) | AVPR1AAVPR2KCNH2OXTR | |
| SCHEMBL2360978 | 0.86 | AVPR1A (0.48) | AVPR1AAVPR2KCNH2 | |
| SCHEMBL3404823 | 0.85 | AVPR1A (0.55) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2356123-B1 | SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES | HOFFMANN LA ROCHE (CH) | 2012-10-03 | — | — | EP | claimed |
| WO-2010054961-A1 | SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | claimed |
| EP-2356123-B1 | SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES | HOFFMANN LA ROCHE (CH) | 2012-10-03 | — | — | EP | disclosed |