Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 8/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.38 |
| ▸ | SSTR2 | P30874 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6004732 | 0.93 | CHEK2 (0.43) | CHEK2ESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL6005698 | 0.93 | CHEK2 (0.43) | CHEK2ESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL6003300 | 0.93 | CHEK2 (0.43) | CHEK2ESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL6005363 | 0.92 | CHEK2 (0.42) | CHEK2ESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL6005426 | 0.92 | CHEK2 (0.43) | CHEK2ESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL6003394 | 0.92 | CHEK2 (0.43) | CHEK2ESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL6003307 | 0.91 | CHEK2 (0.43) | CHEK2ESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL6004629 | 0.91 | CHEK2 (0.44) | CHEK2ESR1ESR2 | |
| SCHEMBL6005446 | 0.91 | CHEK2 (0.44) | CHEK2ESR1ESR2CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL6003305 | 0.90 | CHEK2 (0.43) | CHEK2ESR1ESR2 |
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 |