Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.34 |
| ▸ | RORC | P51449 | 4/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 2/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | SLC34A1 | Q06495 | 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 | |
|---|---|---|---|---|
| SCHEMBL2574375 | 0.89 | CDK9 (0.35) | GRM5GRM1MAP3K5CDK9 | |
| SCHEMBL2577696 | 0.89 | CDK9 (0.34) | GRM5GRM1ESR2OXTRAVPR1A | |
| SCHEMBL2564173 | 0.88 | AVPR2 (0.31) | — | |
| SCHEMBL2573984 | 0.87 | HSD11B1 (0.35) | MAP3K5 | |
| SCHEMBL2578851 | 0.87 | MAP3K5 (0.33) | GRM5GRM1RORCESR2OXTR | |
| SCHEMBL2574177 | 0.87 | GRM5 (0.38) | GRM5GRM1ESR2OXTRAVPR1A | |
| SCHEMBL2575034 | 0.86 | GPR119 (0.33) | RORCNAMPTOXTR | |
| SCHEMBL2563857 | 0.86 | GRM5 (0.36) | GRM5GRM1RORCESR2OXTR | |
| SCHEMBL2574373 | 0.85 | CYP11B2 (0.34) | RORCESR2OXTRAVPR1ADDB1 | |
| SCHEMBL2576883 | 0.85 | KDM4E (0.32) | GRM5GRM1ESR2OXTRAVPR1A |
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-2558467-A1 | ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E]AZULENES AS VASOPRESSIN ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | claimed |
| WO-2011128265-A1 | ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E] AZULENES AS VASOPRESSIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | claimed |
| EP-2558467-A1 | ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E]AZULENES AS VASOPRESSIN ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128265-A1 | ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E] AZULENES AS VASOPRESSIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |