Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL2560012 | 0.89 | AVPR1A (0.32) | KCNH2 | |
| SCHEMBL2564667 | 0.86 | — | — | |
| SCHEMBL2565932 | 0.86 | — | — | |
| SCHEMBL2579942 | 0.84 | OXTR (0.33) | — | |
| SCHEMBL2563133 | 0.81 | CBLB (0.32) | — | |
| SCHEMBL2563323 | 0.80 | AVPR1A (0.33) | — | |
| SCHEMBL2341614 | 0.79 | AVPR2 (0.32) | KCNH2 | |
| SCHEMBL2552411 | 0.79 | AVPR1A (0.34) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2346991 | 0.78 | SLC6A4 (0.32) | SLC6A4KCNH2 | |
| SCHEMBL2563008 | 0.78 | AVPR1A (0.36) | KCNH2 |
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-2560975-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2013-02-27 | — | — | EP | claimed |
| WO-2011131596-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-27 | — | — | WO | claimed |
| EP-2560975-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011131596-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-27 | — | — | WO | disclosed |