Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19789753 | 0.86 | MAOA (0.38) | CYP19A1MAOATSHRMAPTLMNA | |
| SCHEMBL13620313 | 0.86 | MAOA (0.38) | CYP19A1MAOATSHRMAPTLMNA | |
| SCHEMBL19789754 | 0.83 | TSHR (0.41) | CYP19A1MAOATSHRMAPTLMNA | |
| SCHEMBL19789877 | 0.79 | LMNA (0.35) | CYP19A1MAOATSHRMAPTLMNA | |
| SCHEMBL19789693 | 0.78 | MAOA (0.36) | CYP19A1MAOATSHRMAPTLMNA | |
| SCHEMBL12196402 | 0.78 | MAOA (0.36) | CYP19A1MAOATSHRMAPTLMNA | |
| SCHEMBL12196400 | 0.78 | MAOA (0.36) | CYP19A1MAOATSHRMAPTLMNA | |
| SCHEMBL12196408 | 0.78 | MAOA (0.36) | CYP19A1MAOATSHRMAPTLMNA | |
| SCHEMBL19789692 | 0.71 | CCR2 (0.37) | CYP19A1MAOATSHRMAPTLMNA | |
| SCHEMBL13619881 | 0.71 | CCR2 (0.37) | CYP19A1MAOATSHRMAPTLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2282991-B1 | METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES | SANOFI AVENTIS DEUTSCHLAND (DE) | 2018-01-24 | — | — | EP | disclosed |