Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 16/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 14/20 | 0.35 |
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2580101 | 0.89 | HDAC2 (0.34) | CDK9MAP3K5GRM5GRM1 | |
| SCHEMBL2577696 | 0.86 | CDK9 (0.34) | CDK9CCNT1MAP3K5GRM5GRM1 | |
| SCHEMBL2578851 | 0.85 | MAP3K5 (0.33) | MAP3K5GRM5GRM1 | |
| SCHEMBL2574373 | 0.83 | CYP11B2 (0.34) | MAP3K5 | |
| SCHEMBL2574177 | 0.83 | GRM5 (0.38) | MAP3K5GRM5GRM1 | |
| SCHEMBL2548383 | 0.82 | MAPT (0.37) | CDK9CCNT1MAPT | |
| SCHEMBL2563857 | 0.82 | GRM5 (0.36) | MAP3K5GRM5GRM1 | |
| SCHEMBL2559627 | 0.81 | CCNT1 (0.38) | CDK9CCNT1 | |
| Hydrochloric Acid SCHEMBL2556061 | 0.81 | CCNT1 (0.38) | CDK9CCNT1 | |
| SCHEMBL2576883 | 0.81 | KDM4E (0.32) | MAP3K5MAPTGRM5GRM1 |
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 |