Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 1/20 | 0.34 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.33 |
| ▸ | MAP3K5 | Q99683 | 4/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | NAMPT | P43490 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2574746 | 0.91 | OXTR (0.34) | OXTRAVPR1ADDB1CRBNMAP3K5 | |
| SCHEMBL2580235 | 0.91 | OXTR (0.34) | OXTRAVPR1ADDB1CRBNNR1H2 | |
| SCHEMBL2559351 | 0.90 | GPR119 (0.35) | OXTRAVPR1ADDB1CRBNMAP3K5 | |
| SCHEMBL2564697 | 0.89 | AVPR1A (0.31) | AVPR1A | |
| SCHEMBL2580027 | 0.89 | DDB1 (0.36) | OXTRAVPR1ADDB1CRBNMAP3K5 | |
| SCHEMBL2580300 | 0.87 | OXTR (0.36) | OXTRAVPR1ADDB1CRBNMAP3K5 | |
| SCHEMBL2550063 | 0.86 | NAMPT (0.40) | OXTRAVPR1ADDB1CRBNGPR119 | |
| SCHEMBL2596213 | 0.86 | GPR119 (0.35) | OXTRAVPR1ADDB1CRBNGPR119 | |
| SCHEMBL2556747 | 0.86 | HDAC1 (0.38) | OXTRAVPR1ADDB1CRBNCYP11B2 | |
| SCHEMBL2565904 | 0.86 | AVPR2 (0.37) | OXTRAVPR1ADDB1CRBNGPR119 |
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 |