Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.34 |
| ▸ | CDK9 | P50750 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | OXTR | P30559 | 2/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.33 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 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 | |
|---|---|---|---|---|
| SCHEMBL2581930 | 0.85 | OXTR (0.34) | LMNAOXTRAVPR1AAVPR2DDB1 | |
| SCHEMBL2550063 | 0.84 | NAMPT (0.40) | MAPTLMNAOXTRAVPR1AAVPR2 | |
| SCHEMBL2566422 | 0.84 | SMN1; SMN2 (0.36) | MAPTLMNASMN1; SMN2OXTRAVPR1A | |
| SCHEMBL2538175 | 0.84 | HTR2A (0.39) | — | |
| SCHEMBL2577034 | 0.83 | POLB (0.38) | OXTRAVPR1AAVPR2DDB1CRBN | |
| SCHEMBL2579657 | 0.83 | OXTR (0.36) | OXTRAVPR1AAVPR2DDB1CRBN | |
| SCHEMBL2472676 | 0.83 | GPR119 (0.36) | SMN1; SMN2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2577744 | 0.83 | OXTR (0.35) | LMNAOXTRAVPR1AAVPR2DDB1 | |
| SCHEMBL2574375 | 0.82 | CDK9 (0.35) | MAPTCCNT1CDK9 | |
| SCHEMBL2580027 | 0.82 | DDB1 (0.36) | OXTRAVPR1ADDB1CRBN |
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-2552919-A1 | ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. Hoffmann-La Roche AG (CH) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011120877-A1 | ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-06 | — | — | WO | disclosed |