Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAP3K5 | Q99683 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | CASP2 | P42575 | 1/20 | 0.30 |
| ▸ | OXTR | P30559 | 1/20 | 0.30 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.30 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.30 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.30 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL2563857 | 0.86 | GRM5 (0.36) | MAP3K5ESR2OXTRAVPR1AGRM5 | |
| SCHEMBL2580101 | 0.85 | HDAC2 (0.34) | MAP3K5ESR2OXTRAVPR1AGRM5 | |
| SCHEMBL2577696 | 0.84 | CDK9 (0.34) | MAP3K5ESR2OXTRAVPR1AGRM5 | |
| SCHEMBL2574373 | 0.83 | CYP11B2 (0.34) | MAP3K5ESR2OXTRAVPR1ADDB1 | |
| SCHEMBL2574177 | 0.81 | GRM5 (0.38) | MAP3K5ESR2OXTRAVPR1AGRM5 | |
| SCHEMBL2578851 | 0.81 | MAP3K5 (0.33) | MAP3K5ESR2OXTRAVPR1AGRM5 | |
| SCHEMBL2573980 | 0.81 | DDB1 (0.38) | MAP3K5ESR2OXTRAVPR1ADDB1 | |
| SCHEMBL2575034 | 0.81 | GPR119 (0.33) | OXTR | |
| SCHEMBL2574375 | 0.81 | CDK9 (0.35) | MAPTMAP3K5GRM5GRM1 | |
| SCHEMBL2573984 | 0.80 | HSD11B1 (0.35) | MAP3K5 |
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 2 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 | disclosed |
| WO-2011128265-A1 | ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E] AZULENES AS VASOPRESSIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |