Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | SSTR2 | P30874 | 5/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 4/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL6203665 | 0.92 | CHEK2 (0.40) | CHEK2LTA4HSSTR2ENPP3ENPP1 | |
| SCHEMBL6004662 | 0.91 | CHEK2 (0.39) | CHEK2LTA4HSSTR2ENPP3ENPP1 | |
| SCHEMBL6003394 | 0.91 | CHEK2 (0.43) | CHEK2LTA4HSSTR2AURKBESR1 | |
| SCHEMBL6004833 | 0.90 | CHEK2 (0.39) | CHEK2LTA4HSSTR2ENPP3ENPP1 | |
| SCHEMBL6003300 | 0.90 | CHEK2 (0.43) | CHEK2LTA4HSSTR2AURKBESR1 | |
| SCHEMBL6203386 | 0.88 | CHEK2 (0.39) | CHEK2LTA4HSSTR2ENPP3ENPP1 | |
| SCHEMBL6004626 | 0.88 | CHEK2 (0.44) | CHEK2LTA4HESR1 | |
| SCHEMBL6204827 | 0.88 | CHEK2 (0.39) | CHEK2LTA4HSSTR2ENPP3ENPP1 | |
| SCHEMBL6005357 | 0.87 | CHEK2 (0.43) | CHEK2LTA4HESR1 | |
| Hydrochloric Acid SCHEMBL6003391 | 0.87 | CHEK2 (0.43) | CHEK2LTA4HESR1 |
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-1709021-A1 | SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS | ELI LILLY AND COMPANY (US) | 2006-10-11 | — | — | EP | disclosed |
| WO-2005073204-A1 | SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS | ELI LILLY AND COMPANY (US) | 2005-08-11 | — | — | WO | disclosed |